 Entering Gaussian System, Link 0=g16
 Input=36a_RhEn3-lel3_STD_wB97XD-def2SVPDr.in
 Output=36a_RhEn3-lel3_STD_wB97XD-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_def2SVPD/36a_RhEn3-lel3_STD/Gau-207014.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_def2SVPD/36a_RhEn3-lel3_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    207016.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                24-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=120GB
 %chk=36a_RhEn3-lel3_STD_wB97XD-def2SVPDr
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq Pseudo=Read
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,16=1,17=8,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Sat Jul 24 17:07:33 2021, MaxMem= 16106127360 cpu:               1.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "36a_RhEn3-lel3_STD_wB97XD-def2SVPDr.chk"
 Charge =  3 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -0.478199000000     -2.838320000000      0.749399000000
  C                                                -0.645629000000     -2.804461000000     -0.750307000000
  N                                                -1.078681000000     -1.418399000000     -1.150041000000
  Rh                                                0.000089000000      0.000061000000      0.000067000000
  N                                                 0.452614000000     -1.723960000000      1.149911000000
  N                                                 1.266579000000      1.253203000000      1.150361000000
  C                                                 2.697130000000      1.004980000000      0.749740000000
  C                                                 2.751749000000      0.843414000000     -0.749999000000
  N                                                 1.767955000000     -0.224596000000     -1.150132000000
  N                                                -0.689162000000      1.644142000000     -1.149359000000
  C                                                -2.106386000000      1.961118000000     -0.750083000000
  C                                                -2.219517000000      1.832701000000      0.749582000000
  N                                                -1.719027000000      0.469782000000      1.150195000000
  H                                                 3.756021000000      0.579430000000     -1.083089000000
  H                                                 2.470270000000      1.765046000000     -1.260306000000
  H                                                 3.333144000000      1.825874000000      1.082628000000
  H                                                 3.035123000000      0.102500000000      1.259954000000
  H                                                -2.380317000000      2.962746000000     -1.083117000000
  H                                                -2.763117000000      1.256285000000     -1.260915000000
  H                                                -3.248557000000      1.972847000000      1.082181000000
  H                                                -1.607166000000      2.576710000000      1.260000000000
  H                                                -1.376439000000     -3.542110000000     -1.083457000000
  H                                                 0.293217000000     -3.021476000000     -1.260748000000
  H                                                -0.085550000000     -3.799768000000      1.082032000000
  H                                                -1.428624000000     -2.679610000000      1.259901000000
  H                                                 1.413300000000     -2.037405000000      1.012360000000
  H                                                 0.376507000000     -1.580276000000      2.156655000000
  H                                                -2.086004000000     -1.339860000000     -1.011556000000
  H                                                -0.954028000000     -1.314487000000     -2.156803000000
  H                                                -2.470374000000     -0.206011000000      1.012941000000
  H                                                -1.556269000000      0.464260000000      2.156877000000
  H                                                -0.118063000000      2.477516000000     -1.010037000000
  H                                                -0.660849000000      1.484860000000     -2.156217000000
  H                                                 1.057396000000      2.241932000000      1.013461000000
  H                                                 1.180208000000      1.114623000000      2.156980000000
  H                                                 2.203896000000     -1.136230000000     -1.012433000000
  H                                                 1.615436000000     -0.167935000000     -2.156845000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     37 NQM=       37 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          14         103          14          14          12          12          14          14
 AtmWgt=  12.0000000  12.0000000  14.0030740 102.9048000  14.0030740  14.0030740  12.0000000  12.0000000  14.0030740  14.0030740
 NucSpn=           0           0           2           1           2           2           0           0           2           2
 AtZEff=   3.6000000   3.6000000   4.5500000 229.5000000   4.5500000   4.5500000   3.6000000   3.6000000   4.5500000   4.5500000
 NQMom=    0.0000000   0.0000000   2.0440000   0.0000000   2.0440000   2.0440000   0.0000000   0.0000000   2.0440000   2.0440000
 NMagM=    0.0000000   0.0000000   0.4037610  -0.0884000   0.4037610   0.4037610   0.0000000   0.0000000   0.4037610   0.4037610
 AtZNuc=   6.0000000   6.0000000   7.0000000  45.0000000   7.0000000   7.0000000   6.0000000   6.0000000   7.0000000   7.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          14           1           1           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  14.0030740   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           2           1           1           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   4.5500000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.4037610   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   7.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        31          32          33          34          35          36          37
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Sat Jul 24 17:07:33 2021, MaxMem= 16106127360 cpu:               2.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.478199   -2.838320    0.749399
      2          6           0       -0.645629   -2.804461   -0.750307
      3          7           0       -1.078681   -1.418399   -1.150041
      4         45           0        0.000089    0.000061    0.000067
      5          7           0        0.452614   -1.723960    1.149911
      6          7           0        1.266579    1.253203    1.150361
      7          6           0        2.697130    1.004980    0.749740
      8          6           0        2.751749    0.843414   -0.749999
      9          7           0        1.767955   -0.224596   -1.150132
     10          7           0       -0.689162    1.644142   -1.149359
     11          6           0       -2.106386    1.961118   -0.750083
     12          6           0       -2.219517    1.832701    0.749582
     13          7           0       -1.719027    0.469782    1.150195
     14          1           0        3.756021    0.579430   -1.083089
     15          1           0        2.470270    1.765046   -1.260306
     16          1           0        3.333144    1.825874    1.082628
     17          1           0        3.035123    0.102500    1.259954
     18          1           0       -2.380317    2.962746   -1.083117
     19          1           0       -2.763117    1.256285   -1.260915
     20          1           0       -3.248557    1.972847    1.082181
     21          1           0       -1.607166    2.576710    1.260000
     22          1           0       -1.376439   -3.542110   -1.083457
     23          1           0        0.293217   -3.021476   -1.260748
     24          1           0       -0.085550   -3.799768    1.082032
     25          1           0       -1.428624   -2.679610    1.259901
     26          1           0        1.413300   -2.037405    1.012360
     27          1           0        0.376507   -1.580276    2.156655
     28          1           0       -2.086004   -1.339860   -1.011556
     29          1           0       -0.954028   -1.314487   -2.156803
     30          1           0       -2.470374   -0.206011    1.012941
     31          1           0       -1.556269    0.464260    2.156877
     32          1           0       -0.118063    2.477516   -1.010037
     33          1           0       -0.660849    1.484860   -2.156217
     34          1           0        1.057396    2.241932    1.013461
     35          1           0        1.180208    1.114623    2.156980
     36          1           0        2.203896   -1.136230   -1.012433
     37          1           0        1.615436   -0.167935   -2.156845
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.509403   0.000000
     3  N    2.446350   1.506150   0.000000
     4  Rh   2.974334   2.974114   2.120972   0.000000
     5  N    1.506194   2.446313   2.779930   2.121124   0.000000
     6  N    4.466048   4.871726   4.234330   2.120740   3.086428
     7  C    4.985345   5.285454   4.872236   2.974206   3.555995
     8  C    5.122101   4.984894   4.466321   2.974135   3.935364
     9  N    3.935096   3.555412   3.086827   2.121032   3.044407
    10  N    4.872602   4.466677   3.087213   2.121143   4.234903
    11  C    5.285267   4.984431   3.554895   2.974173   4.872192
    12  C    4.985040   5.121529   3.934428   2.974390   4.466585
    13  N    3.555816   3.935068   3.044069   2.121036   3.086831
    14  H    5.741746   5.562013   5.231649   3.951698   4.604823
    15  H    5.824377   5.554216   4.768808   3.287173   4.696088
    16  H    6.032585   6.374189   5.913909   3.951555   4.572013
    17  H    4.610046   5.102892   5.004457   3.287741   3.165031
    18  H    6.374052   6.031632   4.570904   3.951851   5.914146
    19  H    5.101765   4.608051   3.162839   3.286865   5.003486
    20  H    5.561740   5.740725   4.603447   3.951779   5.231600
    21  H    5.554982   5.824336   4.695582   3.287829   4.769756
    22  H    2.159055   1.090504   2.145517   3.951687   3.411603
    23  H    2.160861   1.090448   2.112869   3.287136   2.742304
    24  H    1.090505   2.159118   3.411653   3.951795   2.145509
    25  H    1.090463   2.160927   2.742432   3.287710   2.112918
    26  H    2.070841   2.816835   3.356950   2.678277   1.019846
    27  H    2.072092   3.315693   3.616354   2.700005   1.019790
    28  H    2.816271   2.070746   1.019827   2.677789   3.356196
    29  H    3.315794   2.072043   1.019758   2.700086   3.616721
    30  H    3.311686   3.631898   2.843446   2.677978   3.296481
    31  H    3.748368   4.468279   3.835127   2.699919   3.136542
    32  H    5.611009   5.314609   4.015039   2.678069   4.758513
    33  H    5.212087   4.513877   3.100949   2.700190   4.739916
    34  H    5.313825   5.610459   4.758318   2.677844   4.014060
    35  H    4.511913   5.210107   4.738688   2.699482   3.098570
    36  H    3.632464   3.312325   3.297555   2.678260   2.843967
    37  H    4.467720   3.747270   3.136173   2.699970   3.835102
                    6          7          8          9         10
     6  N    0.000000
     7  C    1.506183   0.000000
     8  C    2.446431   1.509405   0.000000
     9  N    2.779845   2.446372   1.506188   0.000000
    10  N    3.044087   3.934727   3.555351   3.087006   0.000000
    11  C    3.935699   5.122249   4.985051   4.466308   1.506127
    12  C    3.556586   4.985834   5.285917   4.872506   2.446123
    13  N    3.086680   4.466458   4.872184   4.234703   2.779873
    14  H    3.411684   2.159075   1.090504   2.145544   4.571395
    15  H    2.742658   2.160891   1.090435   2.112832   3.163690
    16  H    2.145514   1.090502   2.159113   3.411665   4.603666
    17  H    2.112789   1.090425   2.160825   2.742484   4.695929
    18  H    4.605520   5.742184   5.562431   5.231807   2.145486
    19  H    4.696031   5.824104   5.553850   4.768217   2.112858
    20  H    4.572635   6.033115   6.374651   5.914167   3.411498
    21  H    3.165770   4.610603   5.103386   5.004747   2.741792
    22  H    5.913587   6.374214   6.032077   4.571385   5.232008
    23  H    5.003375   5.102275   4.608972   3.163799   4.769221
    24  H    5.231198   5.562313   5.741580   4.604334   5.914356
    25  H    4.768976   5.555026   5.824681   4.696112   5.004615
    26  H    3.296767   3.312596   3.632695   2.844016   4.758904
    27  H    3.135835   3.748099   4.468186   3.835210   4.739436
    28  H    4.757906   5.610598   5.314033   4.014476   3.297639
    29  H    4.739352   5.211418   4.513138   3.100071   3.136652
    30  H    4.014101   5.314026   5.610688   4.758431   3.357279
    31  H    3.099028   4.512628   5.210826   4.739335   3.615964
    32  H    2.843149   3.631871   3.312662   3.298196   1.019842
    33  H    3.834332   4.466642   3.746295   3.135847   1.019772
    34  H    1.019845   2.070828   2.817175   3.357051   2.843520
    35  H    1.019778   2.072052   3.315693   3.616067   3.834946
    36  H    3.356431   2.816614   2.070750   1.019844   4.014848
    37  H    3.616483   3.315724   2.072016   1.019776   3.099971
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.509399   0.000000
    13  N    2.446464   1.506164   0.000000
    14  H    6.032228   6.374671   5.914028   0.000000
    15  H    4.609181   5.102777   5.003842   1.757910   0.000000
    16  H    5.741568   5.562644   5.231442   2.534320   2.497517
    17  H    5.824931   5.555656   4.769579   2.497400   3.071617
    18  H    1.090508   2.159084   3.411723   6.582920   4.999408
    19  H    1.090429   2.160985   2.742656   6.556593   5.258058
    20  H    2.159140   1.090498   2.145528   7.462849   6.183479
    21  H    2.160696   1.090436   2.112751   6.184090   4.861710
    22  H    5.561428   5.741028   4.604546   6.582495   6.557008
    23  H    5.553838   5.823941   4.695812   4.998910   5.258360
    24  H    6.374028   6.032333   4.571865   6.214724   6.556365
    25  H    5.102524   4.609435   3.164655   6.556789   6.427113
    26  H    5.610934   5.314521   4.014531   4.089875   4.554210
    27  H    5.211080   4.513049   3.099510   5.155714   5.220215
    28  H    3.311380   3.631057   2.842999   6.149638   5.519235
    29  H    3.746515   4.466915   3.834720   5.188867   4.691806
    30  H    2.817302   2.070902   1.019832   6.616514   5.784694
    31  H    3.315664   2.071958   1.019769   6.223429   5.438952
    32  H    2.070669   2.815698   3.355694   4.314695   2.696241
    33  H    2.072103   3.315736   3.616972   4.634668   3.268802
    34  H    3.632969   3.312893   3.296625   3.800265   2.719127
    35  H    4.468699   3.748938   3.136080   4.173642   3.710142
    36  H    5.314219   5.611224   4.758735   2.314643   2.924004
    37  H    4.512627   5.211212   4.739392   2.508707   2.295853
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.757919   0.000000
    18  H    6.215027   6.557284   0.000000
    19  H    6.555991   6.426942   1.757884   0.000000
    20  H    6.583342   6.558539   2.534217   2.497841   0.000000
    21  H    5.000188   5.260472   2.497395   3.071605   1.757963
    22  H    7.462396   6.183578   6.581863   4.997896   6.213660
    23  H    6.182990   4.861195   6.556695   5.257415   6.555665
    24  H    6.582957   4.999795   7.462267   6.182430   6.582378
    25  H    6.557839   5.259769   6.183173   4.860726   4.998910
    26  H    4.314587   2.696443   6.616953   5.784344   6.149789
    27  H    4.636496   3.271704   6.223765   5.439035   5.188474
    28  H    6.616241   5.784989   4.313254   2.694556   4.087700
    29  H    6.223795   5.440166   4.634849   3.268683   5.153877
    30  H    6.149328   5.519664   3.800341   2.719270   2.314689
    31  H    5.187905   4.692145   4.173613   3.710133   2.508913
    32  H    4.088363   4.553695   2.314861   2.924150   3.798955
    33  H    5.153483   5.219325   2.508438   2.296376   4.173917
    34  H    2.314502   2.923924   4.090609   4.554186   4.314900
    35  H    2.509032   2.295595   5.156658   5.220334   4.637424
    36  H    3.799808   2.718296   6.149928   5.518794   6.616873
    37  H    4.173725   3.709874   5.188458   4.690716   6.223557
                   21         22         23         24         25
    21  H    0.000000
    22  H    6.556293   0.000000
    23  H    6.426921   1.757909   0.000000
    24  H    6.557931   2.534191   2.497563   0.000000
    25  H    5.259351   2.497590   3.071690   1.757908   0.000000
    26  H    5.520380   3.799899   2.718456   2.314590   2.924079
    27  H    4.692492   4.173720   3.709803   2.508875   2.295910
    28  H    4.552886   2.314856   2.924145   3.799483   2.717829
    29  H    5.219439   2.508547   2.296159   4.173839   3.709807
    30  H    2.923987   4.089148   4.553454   4.313612   2.695352
    31  H    2.295523   5.155881   5.220260   4.636835   3.271816
    32  H    2.716677   6.150187   5.520047   6.616805   5.784992
    33  H    3.709204   5.189731   4.692459   6.224510   5.440786
    34  H    2.696803   6.616325   5.784415   6.149241   5.519294
    35  H    3.272877   6.222703   5.438284   5.187378   4.691158
    36  H    5.785678   4.314175   2.695646   4.089350   4.554199
    37  H    5.439951   4.635573   3.270160   5.154987   5.220054
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.610378   0.000000
    28  H    4.102186   4.019866   0.000000
    29  H    4.021249   4.521823   1.610467   0.000000
    30  H    4.293824   3.361758   2.352008   3.684468   0.000000
    31  H    4.048035   2.813494   3.684350   4.704728   1.610416
    32  H    5.178771   5.170901   4.294782   4.048851   4.102088
    33  H    5.171878   5.391849   3.364574   2.814658   4.022063
    34  H    4.294112   4.047194   5.177923   5.171510   4.293901
    35  H    3.361513   2.812191   5.170324   5.391128   4.047178
    36  H    2.353071   3.685057   4.294730   3.363606   5.178441
    37  H    3.685056   4.704884   4.047932   2.813668   5.171348
                   31         32         33         34         35
    31  H    0.000000
    32  H    4.018828   0.000000
    33  H    4.521745   1.610500   0.000000
    34  H    3.361363   2.351967   3.684071   0.000000
    35  H    2.812699   3.684153   4.704278   1.610448   0.000000
    36  H    5.171551   4.295423   4.047854   4.102522   4.019882
    37  H    5.391436   3.364312   2.813042   4.021158   4.521445
                   36         37
    36  H    0.000000
    37  H    1.610453   0.000000
 Stoichiometry    C6H24N6Rh(3+)
 Framework group  C1[X(C6H24N6Rh)]
 Deg. of freedom   105
 Full point group                 C1      NOp   1
 RotChk:  IX=3 Diff= 1.97D-12
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.477057   -2.838512    0.749399
      2          6           0       -0.644501   -2.804721   -0.750307
      3          7           0       -1.078110   -1.418833   -1.150041
      4         45           0        0.000089    0.000061    0.000067
      5          7           0        0.453307   -1.723778    1.149911
      6          7           0        1.266075    1.253712    1.150361
      7          6           0        2.696725    1.006065    0.749740
      8          6           0        2.751409    0.844521   -0.749999
      9          7           0        1.768045   -0.223885   -1.150132
     10          7           0       -0.689823    1.643865   -1.149359
     11          6           0       -2.107175    1.960270   -0.750083
     12          6           0       -2.220254    1.831808    0.749582
     13          7           0       -1.719216    0.469090    1.150195
     14          1           0        3.755788    0.580941   -1.083089
     15          1           0        2.469560    1.766040   -1.260306
     16          1           0        3.332409    1.827215    1.082628
     17          1           0        3.035082    0.103721    1.259954
     18          1           0       -2.381509    2.961788   -1.083117
     19          1           0       -2.763622    1.255173   -1.260915
     20          1           0       -3.249350    1.971540    1.082181
     21          1           0       -1.608202    2.576063    1.260000
     22          1           0       -1.375014   -3.542663   -1.083457
     23          1           0        0.294432   -3.021358   -1.260748
     24          1           0       -0.084021   -3.799802    1.082032
     25          1           0       -1.427546   -2.680185    1.259901
     26          1           0        1.414120   -2.036836    1.012360
     27          1           0        0.377143   -1.580124    2.156655
     28          1           0       -2.085465   -1.340699   -1.011556
     29          1           0       -0.953499   -1.314871   -2.156803
     30          1           0       -2.470291   -0.207005    1.012941
     31          1           0       -1.556456    0.463634    2.156877
     32          1           0       -0.119060    2.477468   -1.010037
     33          1           0       -0.661446    1.484594   -2.156217
     34          1           0        1.056494    2.242357    1.013461
     35          1           0        1.179760    1.115098    2.156980
     36          1           0        2.204353   -1.135343   -1.012433
     37          1           0        1.615503   -0.167285   -2.156845
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.6901150           0.6900165           0.4769981
 Leave Link  202 at Sat Jul 24 17:07:33 2021, MaxMem= 16106127360 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      14     15     16     17     18     19     20     21     22     23
 Centers:      24     25     26     27     28     29     30     31     32     33
 Centers:      34     35     36     37
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      7      8     11     12
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       3      5      6      9     10     13
 S 5 1.00
     Exponent=  1.7128415853D+03 Coefficients= -5.3934125305D-03
     Exponent=  2.5764812677D+02 Coefficients= -4.0221581118D-02
     Exponent=  5.8458245853D+01 Coefficients= -1.7931144990D-01
     Exponent=  1.6198367905D+01 Coefficients= -4.6376317823D-01
     Exponent=  5.0052600809D+00 Coefficients= -4.4171422662D-01
 S 1 1.00
     Exponent=  5.8731856571D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.8764592253D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  9.6171241529D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.3571470233D+01 Coefficients= -4.0072398852D-02
     Exponent=  2.9257372874D+00 Coefficients= -2.1807045028D-01
     Exponent=  7.9927750754D-01 Coefficients= -5.1294466049D-01
 P 1 1.00
     Exponent=  2.1954348034D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.0000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.6697708112D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       4
 S 3 1.00
     Exponent=  7.9177440000D+00 Coefficients=  1.4014042010D+00
     Exponent=  6.8412070000D+00 Coefficients= -1.7975072656D+00
     Exponent=  2.9598400000D+00 Coefficients= -1.6225754497D-01
 S 1 1.00
     Exponent=  1.3166643441D+00 Coefficients=  8.7495110714D-01
 S 1 1.00
     Exponent=  5.6907152172D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.0059695193D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  3.7071460798D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  4.1360790000D+00 Coefficients= -5.5183328018D-01
     Exponent=  2.9462810000D+00 Coefficients=  6.1370533515D-01
     Exponent=  1.0792431924D+00 Coefficients=  6.4005434538D-01
     Exponent=  4.6611217769D-01 Coefficients=  2.5958050755D-01
 P 1 1.00
     Exponent=  1.7453169991D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.4600000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.1000000000D-02 Coefficients=  1.0000000000D+00
 D 4 1.00
     Exponent=  6.8847131641D+00 Coefficients= -1.5962387985D-02
     Exponent=  2.3837304391D+00 Coefficients=  2.3047555829D-01
     Exponent=  1.0184384022D+00 Coefficients=  4.4075804028D-01
     Exponent=  3.9957494644D-01 Coefficients=  3.9567661996D-01
 D 1 1.00
     Exponent=  1.3951120264D-01 Coefficients=  1.0000000000D+00
 F 1 1.00
     Exponent=  1.0949900000D+00 Coefficients=  1.0000000000D+00
 ****
 ======================================================================================================
                                       Pseudopotential Parameters
 ======================================================================================================
  Center     Atomic      Valence      Angular      Power
  Number     Number     Electrons     Momentum     of R      Exponent        Coefficient   SO-Coeffient
 ======================================================================================================
    1          6
                                   No pseudopotential on this center.
    2          6
                                   No pseudopotential on this center.
    3          7
                                   No pseudopotential on this center.
    4         45           17
                                      F and up 
                                                     2       12.3100000      -30.09345572    0.00000000
                                                     2        6.1600000       -5.21848192    0.00000000
                                      S - F
                                                     2       11.7200000      225.34775353    0.00000000
                                                     2        5.8200000       32.82318898    0.00000000
                                                     2       12.3100000       30.09345572    0.00000000
                                                     2        6.1600000        5.21848192    0.00000000
                                      P - F
                                                     2       10.4200000      158.70941159    0.00000000
                                                     2        5.4500000       26.44410049    0.00000000
                                                     2       12.3100000       30.09345572    0.00000000
                                                     2        6.1600000        5.21848192    0.00000000
                                      D - F
                                                     2        8.8200000       62.75862572    0.00000000
                                                     2        3.8700000       10.97871947    0.00000000
                                                     2       12.3100000       30.09345572    0.00000000
                                                     2        6.1600000        5.21848192    0.00000000
    5          7
                                   No pseudopotential on this center.
    6          7
                                   No pseudopotential on this center.
    7          6
                                   No pseudopotential on this center.
    8          6
                                   No pseudopotential on this center.
    9          7
                                   No pseudopotential on this center.
   10          7
                                   No pseudopotential on this center.
   11          6
                                   No pseudopotential on this center.
   12          6
                                   No pseudopotential on this center.
   13          7
                                   No pseudopotential on this center.
   14          1
                                   No pseudopotential on this center.
   15          1
                                   No pseudopotential on this center.
   16          1
                                   No pseudopotential on this center.
   17          1
                                   No pseudopotential on this center.
   18          1
                                   No pseudopotential on this center.
   19          1
                                   No pseudopotential on this center.
   20          1
                                   No pseudopotential on this center.
   21          1
                                   No pseudopotential on this center.
   22          1
                                   No pseudopotential on this center.
   23          1
                                   No pseudopotential on this center.
   24          1
                                   No pseudopotential on this center.
   25          1
                                   No pseudopotential on this center.
   26          1
                                   No pseudopotential on this center.
   27          1
                                   No pseudopotential on this center.
   28          1
                                   No pseudopotential on this center.
   29          1
                                   No pseudopotential on this center.
   30          1
                                   No pseudopotential on this center.
   31          1
                                   No pseudopotential on this center.
   32          1
                                   No pseudopotential on this center.
   33          1
                                   No pseudopotential on this center.
   34          1
                                   No pseudopotential on this center.
   35          1
                                   No pseudopotential on this center.
   36          1
                                   No pseudopotential on this center.
   37          1
                                   No pseudopotential on this center.
 ======================================================================================================
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   495 symmetry adapted cartesian basis functions of A   symmetry.
 There are   466 symmetry adapted basis functions of A   symmetry.
   466 basis functions,   692 primitive gaussians,   495 cartesian basis functions
    58 alpha electrons       58 beta electrons
       nuclear repulsion energy      1198.1851107110 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   37 NActive=   37 NUniq=   37 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0393829302 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1198.1457277808 Hartrees.
 Leave Link  301 at Sat Jul 24 17:07:34 2021, MaxMem= 16106127360 cpu:              14.2 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   20910 NPrTT=   55521 LenC2=   20713 LenP2D=   45963.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 NBasis=   466 RedAO= T EigKep=  9.21D-06  NBF=   466
 NBsUse=   466 1.00D-06 EigRej= -1.00D+00 NBFU=   466
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  45.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   495   495   495   495   495 MxSgAt=    37 MxSgA2=    37.
 Leave Link  302 at Sat Jul 24 17:07:35 2021, MaxMem= 16106127360 cpu:              11.5 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Sat Jul 24 17:07:35 2021, MaxMem= 16106127360 cpu:               1.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "36a_RhEn3-lel3_STD_wB97XD-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Sat Jul 24 17:07:36 2021, MaxMem= 16106127360 cpu:              10.0 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 16106127360 LenX= 16105624283 LenY= 16105378763
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 E= -680.762242517536    
 DIIS: error= 4.20D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -680.762242517536     IErMin= 1 ErrMin= 4.20D-03
 ErrMax= 4.20D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.83D-02 BMatP= 1.83D-02
 IDIUse=3 WtCom= 9.58D-01 WtEn= 4.20D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.390 Goal=   None    Shift=    0.000
 GapD=    0.390 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=8.40D-03 MaxDP=1.04D+00              OVMax= 1.25D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.72D-03    CP:  1.25D+00
 E= -680.776068796021     Delta-E=       -0.013826278485 Rises=F Damp=F
 DIIS: error= 1.37D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -680.776068796021     IErMin= 2 ErrMin= 1.37D-03
 ErrMax= 1.37D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.87D-04 BMatP= 1.83D-02
 IDIUse=3 WtCom= 9.86D-01 WtEn= 1.37D-02
 Coeff-Com: -0.137D-01 0.101D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.135D-01 0.101D+01
 Gap=     0.387 Goal=   None    Shift=    0.000
 RMSDP=1.39D-03 MaxDP=1.88D-01 DE=-1.38D-02 OVMax= 1.16D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  4.89D-04    CP:  1.29D+00  1.14D+00
 E= -680.776191703318     Delta-E=       -0.000122907297 Rises=F Damp=F
 DIIS: error= 1.57D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -680.776191703318     IErMin= 2 ErrMin= 1.37D-03
 ErrMax= 1.57D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.95D-04 BMatP= 5.87D-04
 IDIUse=3 WtCom= 2.02D-01 WtEn= 7.98D-01
 Coeff-Com: -0.476D-01 0.602D+00 0.446D+00
 Coeff-En:   0.000D+00 0.446D+00 0.554D+00
 Coeff:     -0.960D-02 0.478D+00 0.532D+00
 Gap=     0.391 Goal=   None    Shift=    0.000
 RMSDP=3.83D-04 MaxDP=2.14D-02 DE=-1.23D-04 OVMax= 6.23D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.89D-04    CP:  1.29D+00  1.16D+00  5.97D-01
 E= -680.776842580966     Delta-E=       -0.000650877648 Rises=F Damp=F
 DIIS: error= 8.47D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -680.776842580966     IErMin= 4 ErrMin= 8.47D-04
 ErrMax= 8.47D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.33D-04 BMatP= 5.87D-04
 IDIUse=3 WtCom= 9.92D-01 WtEn= 8.47D-03
 Coeff-Com: -0.215D-01 0.142D+00 0.291D+00 0.588D+00
 Coeff-En:   0.000D+00 0.000D+00 0.102D+00 0.898D+00
 Coeff:     -0.213D-01 0.141D+00 0.290D+00 0.591D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=1.56D-04 MaxDP=1.19D-02 DE=-6.51D-04 OVMax= 3.25D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.29D-05    CP:  1.30D+00  1.17D+00  8.16D-01  6.87D-01
 E= -680.776952294752     Delta-E=       -0.000109713786 Rises=F Damp=F
 DIIS: error= 1.25D-04 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -680.776952294752     IErMin= 5 ErrMin= 1.25D-04
 ErrMax= 1.25D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.01D-05 BMatP= 1.33D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.25D-03
 Coeff-Com:  0.686D-03-0.563D-01 0.118D-01 0.274D+00 0.770D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:      0.685D-03-0.562D-01 0.118D-01 0.273D+00 0.770D+00
 Gap=     0.391 Goal=   None    Shift=    0.000
 RMSDP=4.63D-05 MaxDP=3.44D-03 DE=-1.10D-04 OVMax= 7.81D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.96D-05    CP:  1.30D+00  1.17D+00  7.96D-01  7.82D-01  1.02D+00
 E= -680.776961663264     Delta-E=       -0.000009368512 Rises=F Damp=F
 DIIS: error= 2.21D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -680.776961663264     IErMin= 6 ErrMin= 2.21D-05
 ErrMax= 2.21D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.18D-07 BMatP= 1.01D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.138D-02-0.239D-01-0.181D-01 0.425D-01 0.237D+00 0.761D+00
 Coeff:      0.138D-02-0.239D-01-0.181D-01 0.425D-01 0.237D+00 0.761D+00
 Gap=     0.391 Goal=   None    Shift=    0.000
 RMSDP=4.56D-06 MaxDP=1.91D-04 DE=-9.37D-06 OVMax= 1.93D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.36D-06    CP:  1.30D+00  1.17D+00  7.96D-01  7.92D-01  1.04D+00
                    CP:  9.39D-01
 E= -680.776962063053     Delta-E=       -0.000000399789 Rises=F Damp=F
 DIIS: error= 5.44D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -680.776962063053     IErMin= 7 ErrMin= 5.44D-06
 ErrMax= 5.44D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.57D-08 BMatP= 3.18D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.315D-03-0.201D-02-0.599D-02-0.874D-02-0.557D-02 0.187D+00
 Coeff-Com:  0.835D+00
 Coeff:      0.315D-03-0.201D-02-0.599D-02-0.874D-02-0.557D-02 0.187D+00
 Coeff:      0.835D+00
 Gap=     0.391 Goal=   None    Shift=    0.000
 RMSDP=1.88D-06 MaxDP=1.11D-04 DE=-4.00D-07 OVMax= 5.26D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  9.32D-07    CP:  1.30D+00  1.17D+00  7.95D-01  7.95D-01  1.05D+00
                    CP:  9.99D-01  1.06D+00
 E= -680.776962100564     Delta-E=       -0.000000037511 Rises=F Damp=F
 DIIS: error= 1.89D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -680.776962100564     IErMin= 8 ErrMin= 1.89D-06
 ErrMax= 1.89D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.10D-09 BMatP= 2.57D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.810D-04 0.264D-02 0.522D-03-0.776D-02-0.368D-01-0.441D-01
 Coeff-Com:  0.228D+00 0.857D+00
 Coeff:     -0.810D-04 0.264D-02 0.522D-03-0.776D-02-0.368D-01-0.441D-01
 Coeff:      0.228D+00 0.857D+00
 Gap=     0.391 Goal=   None    Shift=    0.000
 RMSDP=7.98D-07 MaxDP=5.83D-05 DE=-3.75D-08 OVMax= 1.92D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  3.27D-07    CP:  1.30D+00  1.17D+00  7.94D-01  7.95D-01  1.05D+00
                    CP:  1.02D+00  1.14D+00  9.70D-01
 E= -680.776962104731     Delta-E=       -0.000000004167 Rises=F Damp=F
 DIIS: error= 2.57D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -680.776962104731     IErMin= 9 ErrMin= 2.57D-07
 ErrMax= 2.57D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.47D-11 BMatP= 3.10D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.183D-04 0.221D-03 0.228D-03 0.170D-03-0.237D-02-0.861D-02
 Coeff-Com: -0.154D-01 0.413D-01 0.985D+00
 Coeff:     -0.183D-04 0.221D-03 0.228D-03 0.170D-03-0.237D-02-0.861D-02
 Coeff:     -0.154D-01 0.413D-01 0.985D+00
 Gap=     0.391 Goal=   None    Shift=    0.000
 RMSDP=2.06D-07 MaxDP=2.18D-05 DE=-4.17D-09 OVMax= 3.32D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  5.60D-08    CP:  1.30D+00  1.17D+00  7.94D-01  7.95D-01  1.05D+00
                    CP:  1.02D+00  1.14D+00  9.91D-01  1.05D+00
 E= -680.776962104804     Delta-E=       -0.000000000073 Rises=F Damp=F
 DIIS: error= 5.27D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -680.776962104804     IErMin=10 ErrMin= 5.27D-08
 ErrMax= 5.27D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.90D-12 BMatP= 5.47D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.161D-05-0.816D-04-0.339D-05 0.348D-03 0.117D-02 0.826D-03
 Coeff-Com: -0.102D-01-0.319D-01 0.795D-01 0.960D+00
 Coeff:      0.161D-05-0.816D-04-0.339D-05 0.348D-03 0.117D-02 0.826D-03
 Coeff:     -0.102D-01-0.319D-01 0.795D-01 0.960D+00
 Gap=     0.391 Goal=   None    Shift=    0.000
 RMSDP=4.15D-08 MaxDP=4.94D-06 DE=-7.30D-11 OVMax= 8.08D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.22D-08    CP:  1.30D+00  1.17D+00  7.94D-01  7.96D-01  1.05D+00
                    CP:  1.02D+00  1.14D+00  9.96D-01  1.08D+00  9.70D-01
 E= -680.776962104886     Delta-E=       -0.000000000082 Rises=F Damp=F
 DIIS: error= 1.74D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -680.776962104886     IErMin=11 ErrMin= 1.74D-08
 ErrMax= 1.74D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.13D-13 BMatP= 1.90D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.411D-06 0.891D-07-0.667D-05-0.416D-04 0.163D-05 0.189D-03
 Coeff-Com:  0.162D-02 0.129D-02-0.463D-01-0.489D-01 0.109D+01
 Coeff:      0.411D-06 0.891D-07-0.667D-05-0.416D-04 0.163D-05 0.189D-03
 Coeff:      0.162D-02 0.129D-02-0.463D-01-0.489D-01 0.109D+01
 Gap=     0.391 Goal=   None    Shift=    0.000
 RMSDP=5.97D-09 MaxDP=4.97D-07 DE=-8.23D-11 OVMax= 3.89D-07

 SCF Done:  E(RwB97XD) =  -680.776962105     A.U. after   11 cycles
            NFock= 11  Conv=0.60D-08     -V/T= 2.1269
 KE= 6.040987006626D+02 PE=-3.900734446149D+03 EE= 1.417713055600D+03
 Leave Link  502 at Sat Jul 24 17:11:13 2021, MaxMem= 16106127360 cpu:            3460.8 elap:             216.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   466
 NBasis=   466 NAE=    58 NBE=    58 NFC=     0 NFV=     0
 NROrb=    466 NOA=    58 NOB=    58 NVA=   408 NVB=   408

 **** Warning!!: The largest alpha MO coefficient is  0.57821089D+02

 Leave Link  801 at Sat Jul 24 17:11:13 2021, MaxMem= 16106127360 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
 Defaulting to unpruned grid for atomic number  45.
        11209 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   16106127360 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          37
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   20910 NPrTT=   55521 LenC2=   20911 LenP2D=   55521.
 LDataN:  DoStor=T MaxTD1= 7 Len=  274
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 3.94D-13 8.33D-09 XBig12= 1.00D+00 2.59D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 3.94D-13 8.33D-09 XBig12= 1.43D-01 6.66D-02.
     11 vectors produced by pass  2 Test12= 3.94D-13 8.33D-09 XBig12= 4.53D-02 5.25D-02.
     11 vectors produced by pass  3 Test12= 3.94D-13 8.33D-09 XBig12= 6.34D-03 1.94D-02.
     11 vectors produced by pass  4 Test12= 3.94D-13 8.33D-09 XBig12= 1.10D-03 7.65D-03.
     11 vectors produced by pass  5 Test12= 3.94D-13 8.33D-09 XBig12= 1.09D-04 3.00D-03.
     11 vectors produced by pass  6 Test12= 3.94D-13 8.33D-09 XBig12= 2.99D-05 2.13D-03.
     11 vectors produced by pass  7 Test12= 3.94D-13 8.33D-09 XBig12= 5.13D-06 8.10D-04.
     11 vectors produced by pass  8 Test12= 3.94D-13 8.33D-09 XBig12= 3.16D-07 1.78D-04.
     11 vectors produced by pass  9 Test12= 3.94D-13 8.33D-09 XBig12= 1.46D-08 3.64D-05.
     11 vectors produced by pass 10 Test12= 3.94D-13 8.33D-09 XBig12= 7.03D-10 4.94D-06.
      9 vectors produced by pass 11 Test12= 3.94D-13 8.33D-09 XBig12= 4.17D-11 1.80D-06.
      4 vectors produced by pass 12 Test12= 3.94D-13 8.33D-09 XBig12= 1.95D-12 4.11D-07.
      1 vectors produced by pass 13 Test12= 3.94D-13 8.33D-09 XBig12= 5.67D-14 4.65D-08.
      1 vectors produced by pass 14 Test12= 3.94D-13 8.33D-09 XBig12= 1.48D-15 9.13D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 6.39D-14
 Solved reduced A of dimension   136 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.150308D+03
      2 -0.150344D-02  0.150288D+03
      3 -0.437181D-02 -0.316628D-02  0.124632D+03
 Isotropic polarizability for W=    0.085645      141.74 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.558242D+02  0.836713D+02 -0.901423D-02
      2  -0.558379D+02 -0.836578D+02 -0.484872D-02
      3   0.136897D-01 -0.135220D-01  0.138629D-01
      4   0.837148D+02 -0.558749D+02  0.476997D-04
      5  -0.146109D-01  0.516945D+01 -0.412884D-02
      6  -0.516685D+01 -0.263730D-01 -0.107262D-03
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.170117D+01  0.213464D-01 -0.320372D-01
      2  -0.224312D-01 -0.168882D+01  0.145251D-01
      3   0.739299D-01 -0.350408D-01 -0.248709D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.516940D+01 -0.215243D-01 -0.134147D-01
      2   0.559668D-02  0.516689D+01 -0.178186D-01
      3   0.434452D-01  0.370051D-01 -0.103363D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.795604D+00 -0.171975D-02 -0.671935D-02
      2  -0.171975D-02 -0.802409D+00  0.752724D-02
      3  -0.671935D-02  0.752724D-02 -0.427907D+01
 OR G Eigenvalues:    -4.2791    -0.8028    -0.7952  Iso=     1.9590
 Eigenvectors:
   (1)   0.001928  -0.002164   0.999996
   (2)   0.233619   0.972327   0.001654
   (3)   0.972326  -0.233615  -0.002380
 w=    0.085645 a.u., Optical Rotation Beta=      1.9590 au.
 Molar Mass =    283.2013 grams/mole, [Alpha] ( 5320.0 A) =      328.07 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  108811 ScalPx= 5.47D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  108811 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 4.65D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 6.57D-14 2.78D-09 XBig12= 1.00D+00 4.01D-01.
     30 vectors produced by pass  1 Test12= 6.57D-14 2.78D-09 XBig12= 5.31D-01 3.27D-01.
     30 vectors produced by pass  2 Test12= 6.57D-14 2.78D-09 XBig12= 1.08D-02 2.18D-02.
     30 vectors produced by pass  3 Test12= 6.57D-14 2.78D-09 XBig12= 2.88D-04 3.33D-03.
     30 vectors produced by pass  4 Test12= 6.57D-14 2.78D-09 XBig12= 9.04D-06 3.90D-04.
     30 vectors produced by pass  5 Test12= 6.57D-14 2.78D-09 XBig12= 2.04D-07 6.28D-05.
     30 vectors produced by pass  6 Test12= 6.57D-14 2.78D-09 XBig12= 4.21D-09 9.73D-06.
     30 vectors produced by pass  7 Test12= 6.57D-14 2.78D-09 XBig12= 5.23D-11 8.41D-07.
     29 vectors produced by pass  8 Test12= 6.57D-14 2.78D-09 XBig12= 3.84D-13 7.37D-08.
      4 vectors produced by pass  9 Test12= 6.57D-14 2.78D-09 XBig12= 3.57D-15 6.20D-09.
      1 vectors produced by pass 10 Test12= 6.57D-14 2.78D-09 XBig12= 9.70D-15 8.50D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.78D-15
 Solved reduced A of dimension   274 with    30 vectors.
 ECPInt:  NShTT=   20910 NPrTT=   55521 LenC2=   20911 LenP2D=   55521.
 LDataN:  DoStor=T MaxTD1= 7 Len=  274
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  108811 ScalPx= 4.91D+02
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  108811 ScalPx= 4.91D+02
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  108811 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 5.14D+02
 FullF1:  Do perturbations      1 to      30.
 ECPInt:  NShTT=   20910 NPrTT=   55521 LenC2=   20911 LenP2D=   55521.
 LDataN:  DoStor=T MaxTD1= 8 Len=  415
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.150308D+03 -0.150344D-02 -0.437181D-02
      2  -0.150344D-02  0.150288D+03 -0.316628D-02
      3  -0.437181D-02 -0.316628D-02  0.124632D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.170117D+01  0.213464D-01 -0.320372D-01
      2  -0.224312D-01 -0.168882D+01  0.145251D-01
      3   0.739299D-01 -0.350408D-01 -0.248709D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.558242D+02  0.836713D+02 -0.901423D-02
      2  -0.558379D+02 -0.836578D+02 -0.484872D-02
      3   0.136897D-01 -0.135220D-01  0.138629D-01
      4   0.837148D+02 -0.558749D+02  0.476997D-04
      5  -0.146109D-01  0.516945D+01 -0.412884D-02
      6  -0.516685D+01 -0.263730D-01 -0.107262D-03
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   111 ND12= 1 LenFil=    3999:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.270982D+01 -0.932203D+00 -0.251146D+01 -0.109186D+01 -0.282822D+01
      2  -0.932203D+00 -0.462852D+01  0.108313D+01 -0.282822D+01  0.623275D+01
      3  -0.251146D+01  0.108313D+01  0.810181D+00  0.357458D+00 -0.346040D+01
                 6             7             8             9            10 
      1   0.357458D+00 -0.188666D+01  0.591429D+00  0.876140D+00 -0.136876D+01
      2  -0.346040D+01  0.591429D+00 -0.278770D+01  0.860510D+00  0.353860D+01
      3   0.667260D+00  0.876140D+00  0.860510D+00  0.594957D+00  0.315788D+01
                11            12            13            14            15 
      1   0.353860D+01  0.315788D+01  0.269535D+01  0.349919D+01  0.479614D+00
      2   0.510529D+01  0.120599D+01  0.349919D+01  0.129265D+01  0.282424D+01
      3   0.120599D+01 -0.496761D+00  0.479614D+00  0.282424D+01  0.901125D+00
                16            17            18            19            20 
      1   0.245810D+01  0.771802D+00 -0.466389D+00  0.531992D+00 -0.208960D+01
      2   0.771802D+00  0.224632D+01  0.115594D+01 -0.208960D+01 -0.254518D+01
      3  -0.466389D+00  0.115594D+01 -0.564609D+00 -0.184543D+01 -0.773422D+00
                21            22            23            24            25 
      1  -0.184543D+01 -0.349892D+01 -0.505195D+01 -0.197896D+01 -0.229667D+01
      2  -0.773422D+00 -0.505195D+01 -0.570618D+01 -0.433811D+01 -0.124958D+01
      3  -0.111224D+01 -0.197896D+01 -0.433811D+01 -0.193495D+01 -0.145341D+01
                26            27            28            29            30 
      1  -0.124958D+01 -0.145341D+01 -0.952385D+00 -0.149839D+01  0.134114D-01
      2  -0.263306D+01 -0.165600D+01 -0.149839D+01  0.104165D+01 -0.184516D+01
      3  -0.165600D+01  0.137216D+01  0.134114D-01 -0.184516D+01  0.264844D-01
                31            32            33            34            35 
      1  -0.149207D+01  0.997127D+00  0.183541D+01  0.530882D-01 -0.229918D-01
      2   0.997127D+00  0.146583D+01  0.392677D-02 -0.229918D-01  0.619716D-01
      3   0.183541D+01  0.392677D-02 -0.700822D-02 -0.168941D-02 -0.301571D-01
                36            37            38            39            40 
      1  -0.168941D-02 -0.155944D+01  0.738671D+00  0.120998D+01  0.380018D+00
      2  -0.301571D-01  0.738671D+00 -0.212125D+00  0.557422D+00  0.272744D+01
      3   0.310402D-01  0.120998D+01  0.557422D+00  0.250200D+00 -0.691879D+00
                41            42            43            44            45 
      1   0.272744D+01 -0.691879D+00  0.145727D+01 -0.739952D+00  0.699945D+00
      2  -0.959017D+01  0.491952D+01 -0.739952D+00  0.342935D+01 -0.204813D+01
      3   0.491952D+01 -0.219352D+01  0.699945D+00 -0.204813D+01 -0.140006D+01
                46            47            48            49            50 
      1   0.406075D+01  0.480268D+01  0.394899D+01  0.252836D+01  0.305246D+01
      2   0.480268D+01  0.480890D+01  0.225800D+01  0.305246D+01  0.651035D+00
      3   0.394899D+01  0.225800D+01  0.176572D+01  0.103676D+01  0.221591D+01
                51            52            53            54            55 
      1   0.103676D+01  0.228607D+01  0.125875D+01  0.145484D+01  0.189630D+00
      2   0.221591D+01  0.125875D+01  0.262306D+01  0.166543D+01 -0.260474D+01
      3   0.133898D+01  0.145484D+01  0.166543D+01 -0.137374D+01 -0.261734D+01
                56            57            58            59            60 
      1  -0.260474D+01 -0.261734D+01 -0.417064D+01 -0.464720D+01 -0.113479D+01
      2  -0.359185D+01 -0.399531D+00 -0.464720D+01 -0.143279D+00 -0.336374D+01
      3  -0.399531D+00 -0.938708D+00 -0.113479D+01 -0.336374D+01  0.375742D+00
                61            62            63            64            65 
      1  -0.206485D+01 -0.709325D+00 -0.119135D+01 -0.735191D+01  0.151420D+01
      2  -0.709325D+00 -0.264999D+01  0.325206D+00  0.151420D+01  0.197582D+01
      3  -0.119135D+01  0.325206D+00  0.566960D+00  0.363140D+01 -0.210871D+00
                66            67            68            69            70 
      1   0.363140D+01  0.333447D+01  0.207899D+01 -0.938208D+00  0.297251D+01
      2  -0.210871D+00  0.207899D+01 -0.209641D+01  0.232840D+01 -0.446190D+00
      3  -0.567392D+00 -0.938208D+00  0.232840D+01 -0.885379D+00 -0.748151D+00
                71            72            73            74            75 
      1  -0.446190D+00 -0.748151D+00  0.100723D+02 -0.121279D+01 -0.491652D+01
      2   0.175651D+01 -0.979912D+00 -0.121279D+01 -0.106550D+01  0.199733D+00
      3  -0.979912D+00 -0.586547D+00 -0.491652D+01  0.199733D+00  0.223872D+01
                76            77            78            79            80 
      1   0.163122D+01 -0.106303D+01 -0.991386D+00 -0.366106D+01  0.450804D+00
      2  -0.106303D+01  0.119220D+01 -0.126079D+01  0.450804D+00 -0.132508D+01
      3  -0.991386D+00 -0.126079D+01  0.542640D-02  0.214886D+01 -0.436341D+00
                81            82            83            84            85 
      1   0.214886D+01 -0.668639D+00  0.183395D+01 -0.253093D+01  0.392677D+00
      2  -0.436341D+00  0.183395D+01 -0.631063D+01  0.237846D+01 -0.381141D+01
      3   0.137149D+01 -0.253093D+01  0.237846D+01 -0.111962D+01  0.116822D+01
                86            87            88            89            90 
      1  -0.381141D+01  0.116822D+01 -0.147642D+01  0.761111D+00 -0.702796D+00
      2   0.599343D+01 -0.364471D+01  0.761111D+00 -0.346164D+01  0.207251D+01
      3  -0.364471D+01  0.191947D+01 -0.702796D+00  0.207251D+01  0.138060D+01
                91            92            93            94            95 
      1  -0.147404D+01  0.130954D+01  0.216799D+01  0.309070D+00  0.456394D+01
      2   0.130954D+01  0.298777D+01  0.102927D+00  0.456394D+01 -0.560059D+01
      3   0.216799D+01  0.102927D+00  0.103874D+01 -0.645835D+00  0.382209D+01
                96            97            98            99           100 
      1  -0.645835D+00  0.160451D+01 -0.284058D+00  0.122218D+01  0.696457D+01
      2   0.382209D+01 -0.284058D+00  0.303340D+01 -0.161699D+00 -0.336886D+01
      3  -0.323178D-01  0.122218D+01 -0.161699D+00 -0.632527D+00 -0.383208D+01
               101           102           103           104           105 
      1  -0.336886D+01 -0.383208D+01 -0.172536D+01 -0.228387D+01 -0.311827D+00
      2  -0.147844D+01  0.406152D+00 -0.228387D+01  0.781212D+00 -0.212604D+01
      3   0.406152D+00  0.160371D+00 -0.311827D+00 -0.212604D+01 -0.102747D+01
               106           107           108           109           110 
      1  -0.308197D+01  0.889232D-01  0.306194D+00 -0.769564D+01  0.306091D+01
      2   0.889232D-01 -0.156935D+01 -0.119068D+01  0.306091D+01  0.456126D+00
      3   0.306194D+00 -0.119068D+01  0.637506D+00  0.409045D+01 -0.964869D+00
               111           112           113           114           115 
      1   0.409045D+01  0.568951D+01 -0.616411D+00 -0.216991D+01  0.357865D+01
      2  -0.964869D+00 -0.616411D+00  0.369597D+00  0.207364D+01 -0.464331D+00
      3  -0.205251D+01 -0.216991D+01  0.207364D+01  0.863806D+00 -0.213352D+01
               116           117           118           119           120 
      1  -0.464331D+00 -0.213352D+01  0.109843D+02  0.120147D+00 -0.294484D+01
      2   0.127919D+01  0.427540D+00  0.120147D+00  0.100032D+01  0.161516D-01
      3   0.427540D+00 -0.140771D+01 -0.294484D+01  0.161516D-01  0.203645D+01
               121           122           123           124           125 
      1  -0.214209D+01  0.113634D+01  0.818344D+00 -0.297866D+01 -0.581825D-02
      2   0.113634D+01  0.108442D+00 -0.738920D+00 -0.581825D-02 -0.486326D+00
      3   0.818344D+00 -0.738920D+00 -0.263730D+00  0.245538D+01  0.167706D+00
               126           127           128           129           130 
      1   0.245538D+01  0.124600D+00  0.634759D+00 -0.884383D+00  0.112617D+01
      2   0.167706D+00  0.634759D+00 -0.650023D+00  0.214016D+00  0.472832D+00
      3  -0.146647D+01 -0.884383D+00  0.214016D+00 -0.348834D+00 -0.188341D+00
               131           132           133           134           135 
      1   0.472832D+00 -0.188341D+00 -0.134144D+01 -0.366028D+00  0.392416D+00
      2   0.460492D+01 -0.213572D+01 -0.366028D+00 -0.177543D+01  0.168317D+01
      3  -0.213572D+01  0.226417D+01  0.392416D+00  0.168317D+01 -0.215482D+01
               136           137           138           139           140 
      1   0.567190D+01  0.294301D+01  0.171523D+01  0.471052D+01  0.402153D+01
      2   0.294301D+01  0.250780D+01  0.760453D+00  0.402153D+01  0.425096D+01
      3   0.171523D+01  0.760453D+00  0.144086D+01  0.157611D+01  0.196510D+01
               141           142           143           144           145 
      1   0.157611D+01  0.208342D+01  0.121713D+01  0.205514D+01  0.207809D+01
      2   0.196510D+01  0.121713D+01  0.142202D+01  0.136907D+01 -0.923868D+00
      3   0.144561D+01  0.205514D+01  0.136907D+01  0.149433D+01  0.134759D+01
               146           147           148           149           150 
      1  -0.923868D+00  0.134759D+01 -0.200340D+01  0.156583D+01 -0.794552D+00
      2   0.966783D+00 -0.393130D+00  0.156583D+01 -0.285439D+01  0.168578D+01
      3  -0.393130D+00  0.110018D+01 -0.794552D+00  0.168578D+01 -0.200538D+01
               151           152           153           154           155 
      1   0.188565D+01 -0.305357D+00  0.133687D+01 -0.219908D+01  0.181565D+01
      2  -0.305357D+00  0.126461D+01 -0.109969D+01  0.181565D+01 -0.192716D+01
      3   0.133687D+01 -0.109969D+01  0.216101D+01 -0.925304D+00  0.327096D+00
               156           157           158           159           160 
      1  -0.925304D+00  0.287315D+01 -0.401670D+01  0.115353D+01 -0.111757D+01
      2   0.327096D+00 -0.401670D+01  0.855776D+01 -0.276246D+01  0.108152D+01
      3  -0.776818D+00  0.115353D+01 -0.276246D+01  0.189886D+01 -0.137083D+01
               161           162           163           164           165 
      1   0.108152D+01 -0.137083D+01 -0.363003D+01 -0.778316D+00 -0.180663D+01
      2  -0.235092D+01  0.204272D+01 -0.778316D+00 -0.106260D+01 -0.351766D+00
      3   0.204272D+01 -0.146622D+01 -0.180663D+01 -0.351766D+00 -0.180785D+01
               166           167           168           169           170 
      1  -0.201533D+01 -0.120651D+01 -0.753962D+00 -0.196293D+01 -0.149557D-02
      2  -0.120651D+01 -0.132569D+01 -0.121646D+01 -0.149557D-02 -0.112516D+01
      3  -0.753962D+00 -0.121646D+01 -0.145208D+01 -0.165383D+01 -0.496948D+00
               171           172           173           174           175 
      1  -0.165383D+01 -0.973520D+01  0.333852D+01  0.291840D+01  0.119011D+01
      2  -0.496948D+00  0.333852D+01 -0.213173D+01 -0.885223D+00 -0.138637D+01
      3  -0.211929D+01  0.291840D+01 -0.885223D+00 -0.198413D+01 -0.745963D-01
               176           177           178           179           180 
      1  -0.138637D+01 -0.745963D-01  0.260571D+01 -0.876149D+00 -0.220337D+01
      2   0.151541D+01  0.762976D+00 -0.876149D+00  0.849607D+00  0.109316D+01
      3   0.762976D+00  0.530559D+00 -0.220337D+01  0.109316D+01  0.146030D+01
               181           182           183           184           185 
      1   0.877031D+00  0.101910D+01  0.107341D+01  0.105099D+01  0.543164D+00
      2   0.101910D+01  0.177892D+01  0.657283D+00  0.543164D+00  0.407895D+01
      3   0.107341D+01  0.657283D+00  0.120219D+01  0.252696D+00  0.194437D+01
               186           187           188           189           190 
      1   0.252696D+00  0.114623D+01 -0.115798D+00  0.278417D+00 -0.294171D+01
      2   0.194437D+01 -0.115798D+00  0.196833D+01  0.170218D+01 -0.346979D+01
      3   0.197123D+01  0.278417D+00  0.170218D+01  0.212732D+01 -0.165708D+01
               191           192           193           194           195 
      1  -0.346979D+01 -0.165708D+01 -0.221054D+01 -0.291468D+01 -0.753117D+00
      2  -0.483860D+01 -0.156940D+01 -0.291468D+01 -0.710920D+01 -0.202955D+01
      3  -0.156940D+01 -0.124327D+01 -0.753117D+00 -0.202955D+01 -0.161731D+01
               196           197           198           199           200 
      1  -0.112382D+01 -0.109722D+01 -0.109409D+01  0.338197D+01 -0.152158D+01
      2  -0.109722D+01 -0.240225D+01 -0.221948D+01 -0.152158D+01  0.184314D+01
      3  -0.109409D+01 -0.221948D+01 -0.150126D+01 -0.183394D+01  0.736235D+00
               201           202           203           204           205 
      1  -0.183394D+01 -0.779539D+00  0.858274D+00  0.332047D+00 -0.134387D+01
      2   0.736235D+00  0.858274D+00 -0.161546D+01 -0.117838D+01  0.371452D+00
      3   0.213502D+01  0.332047D+00 -0.117838D+01 -0.834613D+00  0.125782D+01
               206           207           208           209           210 
      1   0.371452D+00  0.125782D+01  0.375894D+00 -0.153276D+01  0.892112D+00
      2  -0.175545D+01 -0.118747D+01 -0.153276D+01  0.324559D+01 -0.109831D+01
      3  -0.118747D+01 -0.215229D+01  0.892112D+00 -0.109831D+01  0.531754D+00
               211           212           213           214           215 
      1  -0.109914D+01  0.988247D+00 -0.286579D+00  0.528175D+00 -0.315600D+00
      2   0.988247D+00 -0.105237D+02  0.279639D+01 -0.315600D+00  0.292908D+01
      3  -0.286579D+00  0.279639D+01 -0.198386D+01  0.156348D+00 -0.245368D+01
               216           217           218           219           220 
      1   0.156348D+00 -0.448746D+01 -0.835208D+00  0.211751D+01  0.220901D+00
      2  -0.245368D+01 -0.835208D+00 -0.125539D+01  0.347986D+00 -0.623243D+00
      3   0.146339D+01  0.211751D+01  0.347986D+00 -0.229197D+01 -0.555487D-01
               221           222           223           224           225 
      1  -0.623243D+00 -0.555487D-01  0.167335D+01  0.411206D+00 -0.161665D+01
      2  -0.448578D+00  0.901239D+00  0.411206D+00  0.144559D+01 -0.610929D+00
      3   0.901239D+00  0.501779D-01 -0.161665D+01 -0.610929D+00  0.215243D+01
               226           227           228           229           230 
      1   0.498882D+01 -0.165535D+01  0.758169D+00 -0.181281D+01  0.955383D+00
      2  -0.165535D+01  0.308875D+01 -0.115851D+01  0.955383D+00 -0.359384D+00
      3   0.758169D+00 -0.115851D+01  0.126484D+01 -0.160260D+00 -0.606902D+00
               231           232           233           234           235 
      1  -0.160260D+00  0.561190D-01  0.952777D-01  0.568066D+00  0.613605D+00
      2  -0.606902D+00  0.952777D-01 -0.188927D+01  0.476524D+00 -0.369137D+00
      3  -0.637000D-01  0.568066D+00  0.476524D+00  0.199282D+00  0.683543D+00
               236           237           238           239           240 
      1  -0.369137D+00  0.683543D+00 -0.451313D+00 -0.459882D+00  0.228216D+00
      2  -0.956559D+00  0.305258D+00 -0.459882D+00  0.141410D+01 -0.173912D+00
      3   0.305258D+00 -0.170268D+00  0.228216D+00 -0.173912D+00  0.639150D+00
               241           242           243           244           245 
      1   0.927749D+00 -0.702197D-01  0.923585D+00 -0.630141D+01 -0.522931D+00
      2  -0.702197D-01  0.188248D+01 -0.109513D+01 -0.522931D+00 -0.199091D+01
      3   0.923585D+00 -0.109513D+01  0.692752D+01 -0.102024D+01 -0.485641D+00
               246           247           248           249           250 
      1  -0.102024D+01  0.133216D+00  0.408447D-01  0.512945D+00  0.287036D+00
      2  -0.485641D+00  0.408447D-01  0.920652D+00  0.868809D+00  0.750663D+00
      3  -0.119297D+01  0.512945D+00  0.868809D+00  0.423327D+00 -0.345731D+00
               251           252           253           254           255 
      1   0.750663D+00 -0.345731D+00 -0.537785D+00  0.648415D+00 -0.366387D+00
      2   0.152956D+01  0.653894D+00  0.648415D+00  0.121895D+01  0.530073D+00
      3   0.653894D+00 -0.197644D+00 -0.366387D+00  0.530073D+00  0.402069D+00
               256           257           258           259           260 
      1   0.382706D+00  0.800274D+00  0.454467D+00 -0.111779D+01 -0.385804D+00
      2   0.800274D+00  0.375367D+00 -0.138044D+00 -0.385804D+00 -0.169235D+01
      3   0.454467D+00 -0.138044D+00  0.524932D+00 -0.127326D+01 -0.656752D+00
               261           262           263           264           265 
      1  -0.127326D+01 -0.385443D+01 -0.177730D+01  0.313789D+00 -0.353781D+01
      2  -0.656752D+00 -0.177730D+01 -0.207284D+01  0.418384D+00 -0.882550D+00
      3  -0.692632D+01  0.313789D+00  0.418384D+00 -0.689437D+00  0.141557D+01
               266           267           268           269           270 
      1  -0.882550D+00  0.141557D+01 -0.147746D+01  0.792249D+00  0.123934D+00
      2  -0.235612D+01 -0.147485D+00  0.792249D+00 -0.345803D+00 -0.729027D+00
      3  -0.147485D+00 -0.106147D+01  0.123934D+00 -0.729027D+00  0.205444D+00
               271           272           273           274           275 
      1   0.128856D+01 -0.927416D+00 -0.193174D+00 -0.460131D+00 -0.464595D+00
      2  -0.927416D+00 -0.288932D+00  0.276370D+00 -0.464595D+00  0.281189D+00
      3  -0.193174D+00  0.276370D+00  0.640447D+00  0.197084D+00  0.702540D+00
               276           277           278           279           280 
      1   0.197084D+00  0.170501D+01 -0.377585D+00 -0.140865D+01  0.190683D+01
      2   0.702540D+00 -0.377585D+00  0.110480D+01 -0.249598D+00  0.491547D+00
      3  -0.166516D+00 -0.140865D+01 -0.249598D+00  0.692897D+01  0.385163D+00
               281           282           283           284           285 
      1   0.491547D+00  0.385163D+00  0.191174D+01  0.156995D+01 -0.326449D+00
      2   0.317153D+01 -0.132093D+01  0.156995D+01  0.472643D+01 -0.532183D+00
      3  -0.132093D+01  0.959939D+00 -0.326449D+00 -0.532183D+00  0.818790D+00
               286           287           288           289           290 
      1   0.577705D+00 -0.905343D+00  0.738028D+00 -0.383702D+00  0.204203D+00
      2  -0.905343D+00  0.126489D+01 -0.286568D-01  0.204203D+00  0.699894D+00
      3   0.738028D+00 -0.286568D-01 -0.198668D+00 -0.624469D+00 -0.307774D+00
               291           292           293           294           295 
      1  -0.624469D+00 -0.281594D-01  0.113537D+01 -0.383933D+00 -0.121533D+01
      2  -0.307774D+00  0.113537D+01 -0.932401D+00  0.113207D+00  0.442172D+00
      3   0.256342D+00 -0.383933D+00  0.113207D+00 -0.605148D+00  0.710398D-01
               296           297           298           299           300 
      1   0.442172D+00  0.710398D-01 -0.115681D+01 -0.131757D+00 -0.826407D+00
      2  -0.159874D+01  0.143640D+01 -0.131757D+00 -0.991854D+00 -0.759206D+00
      3   0.143640D+01 -0.692777D+01 -0.826407D+00 -0.759206D+00 -0.574343D+00
               301           302           303           304           305 
      1   0.179547D+01 -0.721782D-01  0.238295D+00 -0.131272D+01 -0.892354D+00
      2  -0.721782D-01  0.628726D+01  0.991125D+00 -0.892354D+00 -0.500032D+00
      3   0.238295D+00  0.991125D+00  0.112724D+01 -0.695851D+00  0.251831D+00
               306           307           308           309           310 
      1  -0.695851D+00 -0.301758D-01 -0.650729D+00  0.269965D+00 -0.103487D+01
      2   0.251831D+00 -0.650729D+00 -0.629480D+00 -0.464934D+00 -0.947349D+00
      3   0.201885D+00  0.269965D+00 -0.464934D+00 -0.466567D+00 -0.542960D+00
               311           312           313           314           315 
      1  -0.947349D+00 -0.542960D+00  0.158200D+01  0.447699D+00  0.485291D+00
      2   0.256052D+00  0.235161D+00  0.447699D+00  0.122733D+01  0.134181D+01
      3   0.235161D+00 -0.473849D+00  0.485291D+00  0.134181D+01  0.692731D+01
               316           317           318           319           320 
      1   0.110353D+01 -0.134075D+01  0.410379D+00 -0.343023D+01  0.168446D+01
      2  -0.134075D+01  0.212974D+01  0.315010D+00  0.168446D+01 -0.427697D+01
      3   0.410379D+00  0.315010D+00  0.230688D+00  0.131115D+01 -0.562345D+00
               321           322           323           324           325 
      1   0.131115D+01  0.187474D+01  0.155657D+00 -0.396768D+00 -0.159556D+01
      2  -0.562345D+00  0.155657D+00 -0.422150D-01 -0.623798D+00  0.129574D+00
      3  -0.124324D+01 -0.396768D+00 -0.623798D+00 -0.199025D+00  0.231245D+00
               326           327           328           329           330 
      1   0.129574D+00  0.231245D+00  0.628571D+00  0.584495D+00 -0.184820D+00
      2   0.601350D+00 -0.107454D+00  0.584495D+00 -0.417717D+00 -0.738269D+00
      3  -0.107454D+00 -0.657489D+00 -0.184820D+00 -0.738269D+00  0.856837D-01
               331           332           333 
      1  -0.188388D+01 -0.566585D-01  0.120582D+01
      2  -0.566585D-01 -0.927373D+00 -0.771533D+00
      3   0.120582D+01 -0.771533D+00 -0.692893D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.103825D+02 -0.609802D+01  0.519306D+01 -0.524675D+01 -0.147165D+01
      2   0.395369D+00  0.255280D+01  0.312519D+01  0.158504D+01  0.220787D+01
      3  -0.857250D+01  0.217173D+01  0.855282D+01  0.580844D+01  0.833546D+01
                 6             7             8             9            10 
      1  -0.820493D+01  0.168810D+00 -0.248614D+01  0.115713D+01  0.434849D+01
      2   0.810524D+00  0.253752D+00 -0.126329D+00 -0.842242D+00 -0.270849D+01
      3   0.125895D+01  0.926032D+01  0.211074D+01 -0.349109D+01  0.898433D+01
                11            12            13            14            15 
      1  -0.758084D+01 -0.640856D+01 -0.639422D+01  0.754985D+01 -0.609463D+01
      2   0.168427D+01  0.541701D+01  0.225861D+01  0.518264D+00  0.380434D+00
      3  -0.486192D+01 -0.739357D+01 -0.126122D+01 -0.865853D+01  0.450537D+01
                16            17            18            19            20 
      1  -0.929482D+00 -0.194939D+01 -0.129661D+01 -0.216083D+00 -0.120709D+01
      2   0.676707D+00  0.866277D+00 -0.400940D+00  0.192394D+02  0.140603D+02
      3  -0.776009D+01  0.541118D+01  0.346641D+01 -0.205008D+02 -0.179052D+02
                21            22            23            24            25 
      1   0.275393D+01 -0.327439D+01 -0.170463D+02  0.257049D+00  0.113073D+02
      2   0.902667D+01  0.426171D+01 -0.117527D+01 -0.384131D+01 -0.107545D+02
      3  -0.868321D+01  0.301253D+01  0.165453D+02  0.414853D+01 -0.223338D+01
                26            27            28            29            30 
      1   0.191375D+02  0.176604D+02  0.211373D+01  0.294401D+01  0.130126D+00
      2  -0.132494D+02 -0.168782D+02  0.264531D+01 -0.206329D+01 -0.668316D+01
      3   0.321558D+01  0.317054D+00  0.228791D-01  0.890604D+01 -0.900080D-01
                31            32            33            34            35 
      1   0.301789D+01 -0.184990D+01  0.686153D+01  0.255904D+00 -0.771530D+01
      2  -0.223108D+01 -0.320097D+01  0.957813D-01  0.800702D+01  0.585961D-01
      3  -0.902330D+01 -0.198359D+00  0.140271D+00  0.250143D+00  0.398632D+00
                36            37            38            39            40 
      1  -0.934309D-01  0.468115D+01 -0.212776D+01  0.144993D+01 -0.275970D+00
      2  -0.480260D+00  0.867245D+01 -0.193989D+02  0.101037D+02 -0.942502D+01
      3  -0.141277D+00  0.990844D+01 -0.290415D+02  0.979992D+01 -0.801036D+01
                41            42            43            44            45 
      1   0.181924D+02  0.119523D+01 -0.477504D+01  0.266765D+02 -0.228067D+02
      2   0.167423D+01 -0.516051D+00 -0.330163D+01  0.651985D+01 -0.873517D+01
      3  -0.557131D+01  0.384434D+00  0.330906D+01  0.184819D+01 -0.201225D+00
                46            47            48            49            50 
      1   0.837189D+00 -0.212914D+01  0.481674D+01 -0.115258D+02 -0.213453D+02
      2   0.166993D+02  0.531919D+01  0.830474D+00  0.200898D+01 -0.162884D+01
      3  -0.178928D+02 -0.806059D+01 -0.525162D+01  0.127505D+02  0.217567D+02
                51            52            53            54            55 
      1  -0.808455D+01  0.138060D+02  0.139767D+02  0.189304D+02  0.123269D+01
      2  -0.373530D+01 -0.155951D+02 -0.118566D+02 -0.152237D+02 -0.937593D+01
      3   0.803913D+01 -0.361268D+01  0.180362D+01 -0.363477D+00  0.770036D+01
                56            57            58            59            60 
      1  -0.336682D+01 -0.372335D+00 -0.296633D+01  0.242192D+01 -0.633647D+01
      2   0.535774D+01  0.528843D+01  0.671656D+01 -0.224366D+01  0.640605D+01
      3   0.346177D+01 -0.542089D+01  0.697273D+01 -0.781934D+01  0.670850D+01
                61            62            63            64            65 
      1  -0.103526D+01 -0.964452D+00  0.225270D+00 -0.156098D+01 -0.221525D+01
      2   0.175599D+01  0.112080D+01  0.134860D+01 -0.166935D+00  0.359793D+01
      3  -0.635990D+01  0.700066D+01 -0.351798D+01 -0.692873D+01 -0.784010D+01
                66            67            68            69            70 
      1  -0.155993D+01 -0.334691D+01 -0.246306D+01 -0.263558D+01 -0.222381D+00
      2   0.870098D+01  0.434172D+01  0.114490D+02 -0.444382D+01  0.254075D+01
      3  -0.153041D+00 -0.431873D+01  0.727851D+01 -0.858853D+01 -0.901167D+00
                71            72            73            74            75 
      1  -0.265663D+00  0.981981D+00 -0.253088D+01  0.997753D+01  0.165349D+01
      2   0.127629D+00 -0.103175D+01 -0.187407D+02 -0.188636D+00 -0.837925D+00
      3  -0.947333D+01  0.352199D+01  0.128986D+01  0.941332D+01  0.533365D+00
                76            77            78            79            80 
      1   0.194256D+02 -0.409079D+01 -0.952966D+01 -0.357777D+01  0.224437D+01
      2   0.271858D+01 -0.524678D+01 -0.287452D+01 -0.278396D+02  0.145322D+01
      3   0.301615D+02 -0.475402D+01 -0.955970D+01 -0.175240D+01 -0.352692D+01
                81            82            83            84            85 
      1   0.590313D+01  0.206002D+01  0.316418D+01 -0.615520D+01 -0.424786D+01
      2   0.237730D+02  0.114051D+02 -0.126937D+02  0.487566D+01 -0.595840D+01
      3   0.444284D+00  0.136798D+02 -0.225994D+02  0.785384D+01 -0.167786D+01
                86            87            88            89            90 
      1   0.221773D+02 -0.393814D+01 -0.106847D+02  0.235124D+02 -0.233326D+02
      2  -0.566430D+01  0.514414D+01 -0.647717D+01  0.886141D+01 -0.684630D+01
      3  -0.177902D+02  0.555967D+01  0.373670D+01  0.402813D+00  0.240667D+00
                91            92            93            94            95 
      1  -0.811409D+01 -0.311528D+01 -0.107142D+01 -0.320757D+01  0.302237D+00
      2  -0.101038D+02 -0.300152D-01  0.290750D+01 -0.133551D+01  0.912787D+00
      3  -0.176395D+01  0.736858D+01  0.760176D+01  0.109513D+02  0.195725D+01
                96            97            98            99           100 
      1  -0.848672D+01  0.986574D+00 -0.174779D+01  0.509589D+00 -0.786189D+00
      2  -0.500621D+01  0.785053D+00 -0.103577D+01  0.157861D+01 -0.113519D+01
      3   0.415970D+01  0.848052D+01  0.396086D+01  0.350102D+01  0.626470D+00
               101           102           103           104           105 
      1  -0.325194D+00  0.419039D+01 -0.169652D+01  0.875223D+01 -0.251990D+01
      2   0.199316D+01  0.887102D+01  0.175305D+01  0.998621D+01  0.185279D+01
      3  -0.110963D+02 -0.311419D+01 -0.764734D+01 -0.936036D+00 -0.803066D+01
               106           107           108           109           110 
      1   0.937363D+00 -0.598675D+00 -0.149549D+01  0.541045D+01  0.784128D+01
      2   0.203261D+01 -0.815765D+00 -0.718580D+00 -0.214860D+02  0.271492D+01
      3  -0.281890D+01 -0.896998D+01 -0.357755D+01  0.136349D+02  0.569050D+01
               111           112           113           114           115 
      1  -0.473196D+01  0.154659D+02 -0.838340D+01 -0.645211D+01 -0.617614D+01
      2   0.234941D+01 -0.371721D+01 -0.338766D+01  0.577535D+01 -0.258288D+02
      3  -0.424052D+01  0.265923D+02 -0.100643D+02 -0.866962D+01  0.283046D+00
               116           117           118           119           120 
      1   0.404736D+01  0.381483D+01  0.145028D+01 -0.158299D+01 -0.190971D+01
      2   0.808835D+01  0.243081D+02  0.216393D+01  0.854016D+00  0.573057D+01
      3  -0.411317D+01 -0.288073D+00  0.737048D+01 -0.538819D+01 -0.294810D+01
               121           122           123           124           125 
      1  -0.314352D+00  0.106541D+01 -0.285272D+00 -0.128767D+01  0.136198D+01
      2  -0.298703D+01 -0.171600D+01  0.329205D+00  0.259016D+01 -0.302444D+00
      3  -0.222384D+01  0.179843D+01  0.232900D+01 -0.840161D+00  0.285187D+01
               126           127           128           129           130 
      1   0.746381D+00  0.692513D+00  0.961941D+00  0.745976D+00 -0.176593D+00
      2  -0.248622D+01 -0.422227D+01  0.140590D+01 -0.221371D+01  0.918745D+00
      3   0.106317D+01 -0.308303D+01  0.319376D+01 -0.191260D+01  0.260423D+01
               131           132           133           134           135 
      1  -0.300318D+01 -0.188279D+01 -0.903285D-01  0.107597D+01  0.918912D+00
      2  -0.648472D+01  0.731895D+01 -0.199315D+01  0.529032D+01 -0.620617D+01
      3  -0.145368D+02  0.677527D+01 -0.634225D+00  0.558245D+01 -0.557046D+01
               136           137           138           139           140 
      1   0.112892D+00  0.968782D+00 -0.154050D+01  0.232966D+01  0.215996D+01
      2   0.588117D+00  0.451645D+00  0.475423D+01 -0.343472D+01  0.693119D+00
      3  -0.175235D+01 -0.519141D+01 -0.889559D+00 -0.199644D+01 -0.757178D+01
               141           142           143           144           145 
      1  -0.120403D+01 -0.963565D+00  0.391235D+00 -0.979742D+00 -0.262418D+01
      2   0.309415D+01  0.158488D+01  0.258050D+01  0.255462D+01  0.305614D+01
      3  -0.364635D+01  0.105590D+01 -0.281219D+01 -0.110699D+01  0.447139D+01
               146           147           148           149           150 
      1   0.122564D+01 -0.119165D+01  0.242694D+01 -0.570520D+01  0.281226D+01
      2   0.254185D+00  0.245685D+01  0.577285D+00  0.413637D+01 -0.686159D+01
      3  -0.449812D+01  0.258234D+01 -0.512704D+01  0.130591D+02 -0.654874D+01
               151           152           153           154           155 
      1  -0.146168D+01  0.402606D+01 -0.305844D+01  0.131775D+01 -0.519058D+00
      2   0.902327D+00 -0.375049D+01  0.551036D+01  0.125210D+01 -0.665841D+00
      3   0.290991D+01 -0.483866D+01  0.558365D+01  0.115749D+00 -0.205619D+01
               156           157           158           159           160 
      1   0.211175D+01  0.219112D+01 -0.293087D+01 -0.339570D+01  0.114548D+01
      2   0.259195D+01  0.237922D+01  0.806185D+00 -0.369975D+01  0.389374D-01
      3  -0.581970D+00  0.112181D+01  0.923660D+01 -0.370907D+01 -0.206412D+01
               161           162           163           164           165 
      1  -0.117882D+01  0.178093D+01  0.514025D+01  0.177064D+01  0.395075D+01
      2  -0.276076D+01  0.189944D+01  0.932151D+00 -0.391218D+00  0.381328D+01
      3  -0.216014D+01  0.108686D+01 -0.917246D+01 -0.612786D+01 -0.492455D+01
               166           167           168           169           170 
      1   0.275509D+01  0.530219D+01  0.407290D+01  0.353176D+01  0.406892D+01
      2  -0.117261D+01  0.240356D+01  0.421349D+01  0.107941D+01  0.163090D+01
      3  -0.676544D+01 -0.844613D+01 -0.506163D+01 -0.445946D+01 -0.330298D+01
               171           172           173           174           175 
      1   0.484445D+01 -0.999318D+00 -0.205503D+01  0.350158D+01  0.586607D+00
      2   0.375350D+01  0.296698D+01 -0.189777D+01  0.415096D+01  0.114726D+01
      3  -0.555595D+01 -0.924010D+01 -0.231733D+01  0.361048D+01  0.877996D+00
               176           177           178           179           180 
      1  -0.113246D+01 -0.187328D+01  0.255379D+01  0.426608D+00 -0.162475D+01
      2  -0.157893D+01 -0.192152D+01  0.166768D+01 -0.955628D+00 -0.198909D+01
      3   0.990607D-01  0.102484D+01  0.189454D+01  0.231248D+01 -0.106538D+01
               181           182           183           184           185 
      1  -0.190582D+01  0.125334D+01 -0.318516D+01  0.386083D+00  0.119211D-01
      2  -0.497525D+01 -0.258162D+01 -0.396259D+01 -0.171003D+01 -0.575890D+01
      3   0.673905D+01  0.644794D+01  0.435651D+01  0.587793D+01  0.108274D+02
               186           187           188           189           190 
      1  -0.366701D+01 -0.102648D+01 -0.696718D+00 -0.313682D+01 -0.845711D+00
      2  -0.494504D+01 -0.375015D+01 -0.415765D+01 -0.532331D+01 -0.180608D+01
      3   0.554407D+01  0.270739D+01  0.487526D+01  0.556837D+01  0.648874D+01
               191           192           193           194           195 
      1   0.364439D+01 -0.255559D+01 -0.354969D+00 -0.100129D+00 -0.527467D+01
      2  -0.207039D+01  0.665971D+00 -0.125120D+01 -0.595340D+00  0.992976D+00
      3   0.265949D+01  0.349510D+01  0.586719D+01  0.273831D+01  0.134850D+01
               196           197           198           199           200 
      1  -0.227553D+01 -0.198555D+01 -0.268543D+01 -0.478223D+01 -0.433187D+00
      2  -0.816669D+00  0.650113D+00  0.645837D+00  0.556637D+01 -0.202972D+01
      3   0.293995D+01 -0.695988D+00  0.111943D+01 -0.141797D+02  0.380995D+01
               201           202           203           204           205 
      1   0.745148D+01 -0.300137D+00 -0.329906D+01 -0.170706D+01  0.432423D+01
      2  -0.198845D+01 -0.777016D+00  0.181431D+01  0.605855D+00 -0.362257D+01
      3   0.682655D+01  0.315862D+01 -0.346102D+01 -0.172293D+01  0.511778D+01
               206           207           208           209           210 
      1  -0.616032D+00 -0.581261D+01  0.156197D+01  0.343572D+01  0.418131D+00
      2   0.857845D+00  0.230379D+01 -0.114795D+01  0.777491D+00  0.865085D-01
      3  -0.224937D+01 -0.555264D+01 -0.292772D+01  0.280527D+01 -0.272276D+01
               211           212           213           214           215 
      1  -0.582169D+00 -0.164976D+01 -0.592710D+01  0.848609D+00 -0.265391D+01
      2   0.152814D+01 -0.142094D+01  0.116303D+01 -0.142226D+01  0.764450D+00
      3   0.596375D+01 -0.629107D+01  0.260717D+01 -0.294523D+01  0.453607D+00
               216           217           218           219           220 
      1   0.255762D+01  0.629630D+01 -0.668952D+00 -0.775966D+01 -0.999203D+00
      2  -0.421450D+00  0.389303D+01  0.590667D+00  0.972784D+00 -0.601733D+00
      3  -0.108005D+01  0.150859D+02 -0.100596D+01 -0.697388D+01 -0.160346D+01
               221           222           223           224           225 
      1   0.401884D+01  0.127299D+01 -0.532016D+01  0.128263D+01  0.627432D+01
      2  -0.203366D+00 -0.311676D+00 -0.179516D+01  0.117340D+00 -0.107082D+00
      3   0.251767D+01  0.101262D+01 -0.562247D+01 -0.950913D-01  0.557354D+01
               226           227           228           229           230 
      1  -0.518089D+00  0.369114D+01  0.766043D+00  0.910279D+00  0.747720D+00
      2  -0.858228D+01  0.357257D+01 -0.338137D+00  0.105547D+01 -0.101177D-01
      3  -0.113644D+02  0.153626D+01 -0.199898D+01  0.179587D+01 -0.501651D+00
               231           232           233           234           235 
      1  -0.185214D+01  0.185603D+01 -0.220091D+01  0.607656D+00  0.174154D+01
      2  -0.708470D+00  0.147516D+01 -0.210004D+01 -0.201740D+00  0.161653D+00
      3  -0.469465D+00  0.185417D+01 -0.592395D+00 -0.406425D+00 -0.361490D+00
               236           237           238           239           240 
      1  -0.934635D-02 -0.514445D+00  0.130331D+01  0.102401D+00  0.314544D+01
      2   0.437626D+00 -0.119206D+01  0.156052D+00 -0.209801D+01  0.166628D+01
      3  -0.428223D+00 -0.169594D+01  0.365616D+00 -0.164785D+01 -0.375949D-01
               241           242           243           244           245 
      1   0.259672D+01  0.743487D+00  0.146720D+02 -0.161150D+01  0.244508D+01
      2  -0.150313D+01 -0.141973D+01  0.399967D+01 -0.902476D+01 -0.914661D+00
      3  -0.184256D+01 -0.176649D+01 -0.156640D+01  0.109275D+02 -0.275933D+01
               246           247           248           249           250 
      1  -0.129641D+01  0.821780D+00 -0.183284D+01 -0.987751D+00 -0.153334D+01
      2   0.461102D+00  0.251727D+01  0.118225D+01  0.125223D+01  0.296595D+01
      3   0.169334D+01 -0.251893D+01  0.875735D+00 -0.120503D+01 -0.193813D+01
               251           252           253           254           255 
      1  -0.670184D+00 -0.613506D+00 -0.108606D+01 -0.681499D-01  0.895627D+00
      2   0.176279D+01  0.239907D-01  0.320839D-01 -0.122538D+01 -0.224553D+01
      3   0.166732D+00  0.416939D+00  0.540360D+00  0.314964D-01  0.154293D+01
               256           257           258           259           260 
      1   0.123975D+01 -0.129699D+01  0.208788D+01 -0.228005D+01  0.229220D+01
      2  -0.144623D+01 -0.116805D+01 -0.205476D+01  0.487601D-01  0.109442D+01
      3   0.832045D+00  0.147655D+01 -0.681412D+00  0.101983D+01 -0.234285D+01
               261           262           263           264           265 
      1  -0.120190D+02 -0.283980D+01 -0.293319D+01  0.638923D+00 -0.377151D+01
      2   0.928841D+01  0.346823D+01  0.202111D+01  0.187494D+01  0.569620D+01
      3   0.157417D+01 -0.469044D+01 -0.561731D+01  0.636113D+00 -0.542152D+01
               266           267           268           269           270 
      1  -0.473236D+01  0.451475D+00 -0.805577D+00  0.781840D-01 -0.470396D+00
      2   0.661862D+00 -0.540783D+00  0.368748D+01  0.584138D+00 -0.396391D+00
      3  -0.719343D+01  0.197965D+01 -0.144199D+01 -0.131984D+01 -0.428259D+00
               271           272           273           274           275 
      1  -0.150566D+01  0.959957D+00  0.277635D+00  0.735324D-01 -0.107732D+01
      2   0.954373D+00 -0.279479D+00 -0.361925D+01 -0.124385D+01 -0.155548D+01
      3  -0.128591D+01  0.160981D+00  0.817038D+00  0.967377D+00 -0.713838D+00
               276           277           278           279           280 
      1   0.737869D+00 -0.101729D+00  0.305795D+01 -0.388115D+01 -0.220411D+00
      2   0.872884D+00  0.800971D+00  0.128241D+01 -0.146983D+02  0.381992D+01
      3   0.148593D+01 -0.613061D+00  0.247427D+01 -0.157107D+01  0.571209D+01
               281           282           283           284           285 
      1  -0.573457D+01  0.829914D+00 -0.188077D+01 -0.484381D+01 -0.168740D+01
      2   0.318084D+01 -0.239771D+00  0.284655D+01  0.309964D+01 -0.902387D+00
      3   0.555096D+01 -0.186381D+01  0.576225D+01  0.612278D+01 -0.879179D+00
               286           287           288           289           290 
      1  -0.832929D-01 -0.385621D+01  0.329505D+00  0.113301D+01  0.155597D+01
      2  -0.166439D+00  0.302214D+00  0.521807D+00  0.138320D+01  0.105346D+00
      3   0.114719D+01  0.163123D+01  0.425115D+00  0.871338D+00 -0.101678D+01
               291           292           293           294           295 
      1  -0.125427D+01  0.689846D+00 -0.906537D+00  0.346796D+01 -0.764483D+00
      2  -0.867247D+00 -0.905783D+00  0.126584D+01  0.831463D-01 -0.317501D+01
      3  -0.137203D+01 -0.203290D+00  0.114295D+01 -0.999586D+00 -0.253970D+01
               296           297           298           299           300 
      1  -0.927793D+00  0.140600D+02 -0.107146D+01 -0.369242D+01 -0.126129D+01
      2  -0.433759D+00  0.577607D+01  0.218252D+01 -0.123606D+01  0.636016D+00
      3   0.275242D+00  0.159265D+01 -0.179628D+01  0.373502D+01  0.141481D+01
               301           302           303           304           305 
      1  -0.524429D-01  0.839015D+01 -0.779457D+00 -0.141222D+01 -0.335964D+01
      2  -0.239477D+01  0.233310D+01  0.134247D+01  0.271629D+00  0.117728D+01
      3   0.397136D+01 -0.100825D+02 -0.155076D+01 -0.398706D+00  0.189915D+01
               306           307           308           309           310 
      1  -0.117075D+00  0.595232D+00  0.169302D+01  0.196960D+01  0.128895D+01
      2   0.611491D+00  0.156472D+01 -0.987867D+00 -0.171597D+01  0.287666D+00
      3  -0.411472D+00 -0.133929D+01 -0.927188D+00  0.885162D+00 -0.114261D+00
               311           312           313           314           315 
      1   0.167601D+00  0.262929D+01 -0.729841D+00 -0.407113D+00 -0.107902D+02
      2   0.972402D+00 -0.838047D+00 -0.270153D+01  0.190641D+01  0.107120D+02
      3  -0.635365D+00 -0.143020D+01  0.244953D+01 -0.709018D+00 -0.156690D+01
               316           317           318           319           320 
      1   0.738984D+00 -0.193605D+01  0.408801D+00 -0.410639D+01  0.773800D+01
      2   0.392479D-01 -0.122737D+01  0.196171D+01 -0.435896D+01  0.886435D+00
      3   0.106177D+01 -0.314866D+01  0.210246D+00 -0.291216D+01  0.106996D+02
               321           322           323           324           325 
      1   0.546056D+00  0.195977D+01 -0.970144D+00  0.269203D+00  0.213648D+01
      2  -0.426410D+00  0.266549D+01 -0.169372D+01 -0.558722D+00  0.391809D+00
      3   0.209541D+01  0.854445D+00 -0.176781D+01  0.394221D+00  0.161938D+01
               326           327           328           329           330 
      1   0.265724D+00 -0.138578D+01 -0.189229D+00  0.619840D-01  0.941704D+00
      2  -0.105091D+01 -0.342234D+01  0.197053D+00 -0.186610D+01  0.227911D+00
      3  -0.215379D+00 -0.179650D+00  0.579427D+00  0.405802D+00  0.168244D+01
               331           332           333 
      1   0.125963D+01  0.201027D+01 -0.203125D+01
      2  -0.257460D+00 -0.243884D+01 -0.150629D+02
      3   0.150792D+01  0.206161D+01  0.157315D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.653657D+01 -0.134559D+02  0.745769D+01 -0.932492D+01  0.258325D+02
      2   0.107580D+02  0.238133D+02 -0.821179D+01  0.176198D+02 -0.377165D+02
      3  -0.422148D+01 -0.103575D+02  0.754103D+00 -0.829484D+01  0.118840D+02
      4  -0.951362D+01  0.585061D+01  0.121207D+02  0.610683D+01  0.123706D+02
      5   0.785448D+01  0.318438D+00 -0.755497D+01 -0.273325D+01 -0.292455D+01
      6   0.135768D+02 -0.871291D+01 -0.530975D+01 -0.383120D+01  0.235406D+02
                 6             7             8             9            10 
      1  -0.122783D+02  0.591209D+01 -0.897687D+01 -0.127806D+01  0.111800D+02
      2   0.227456D+02 -0.599808D+01  0.174322D+02 -0.230916D+01 -0.158666D+02
      3  -0.104673D+02  0.859839D-01 -0.845529D+01  0.358721D+01  0.468653D+01
      4  -0.332405D-02  0.104211D+02 -0.161789D+01 -0.383871D+01  0.143920D+01
      5  -0.819478D+00 -0.618379D+01 -0.297410D-01  0.593926D+00 -0.835766D+00
      6  -0.628285D+01 -0.353501D+01 -0.661556D+01 -0.407954D+01 -0.206918D+02
                11            12            13            14            15 
      1   0.107674D+02 -0.416555D+00  0.830505D+01 -0.699188D+00  0.797950D+01
      2  -0.240634D+02 -0.428909D+01 -0.195461D+02 -0.216019D+01 -0.173796D+02
      3   0.132960D+02  0.470564D+01  0.112411D+02  0.285938D+01  0.940015D+01
      4  -0.224674D+02 -0.177503D+02 -0.186198D+02 -0.196704D+02 -0.601263D+01
      5  -0.810378D+01 -0.519008D+01 -0.341022D+01 -0.880172D+01  0.408404D+00
      6  -0.787585D+01  0.489396D+01 -0.452182D+01 -0.155491D+02 -0.847591D+01
                16            17            18            19            20 
      1  -0.135467D+01  0.487051D+01  0.136559D+01 -0.159217D+02 -0.432053D+01
      2  -0.206668D+01 -0.126658D+02 -0.501494D+01  0.105996D+02  0.660643D+01
      3   0.342134D+01  0.779532D+01  0.364935D+01  0.532209D+01 -0.228590D+01
      4  -0.148738D+02 -0.546179D+01  0.223808D+01 -0.706108D+01  0.532272D+01
      5  -0.502811D+01 -0.773518D+00  0.205582D+01 -0.383773D+01  0.255822D+01
      6   0.273680D+01 -0.795771D+01  0.330300D+01  0.452996D+01  0.267774D+01
                21            22            23            24            25 
      1  -0.192644D+01 -0.862944D+01 -0.102528D+02 -0.993821D+01 -0.629290D+00
      2  -0.118971D+00  0.134150D+02  0.914813D+01  0.118413D+02  0.124497D+01
      3   0.204541D+01 -0.478552D+01  0.110463D+01 -0.190312D+01 -0.615676D+00
      4   0.214223D+01  0.768719D+01  0.939727D+01  0.513350D+01  0.619930D+00
      5   0.444399D+01  0.154264D+01  0.850469D+01  0.168308D+01  0.360454D+01
      6   0.220115D+01  0.412356D+01  0.809777D+01  0.702327D+01  0.283183D-01
                26            27            28            29            30 
      1  -0.530483D+01  0.345408D+01 -0.963098D+01  0.756873D-01 -0.567116D+01
      2   0.494649D+01  0.105043D+02  0.317861D+01 -0.610656D-01  0.567230D+01
      3   0.358343D+00 -0.139584D+02  0.645238D+01 -0.146216D-01 -0.114698D-02
      4   0.363663D+01 -0.375247D-01  0.279907D-01 -0.628119D+01  0.375592D+01
      5   0.571167D+00 -0.374153D+01 -0.364818D+01  0.241218D+01 -0.346909D+01
      6   0.565733D+01 -0.609091D+01  0.238409D+01  0.375166D+01 -0.349864D-01
                31            32            33            34            35 
      1   0.199389D-01  0.304201D+01  0.376280D+01 -0.778511D+01  0.529832D+01
      2  -0.103673D-01 -0.949000D+01 -0.378768D+01  0.779542D+01 -0.530221D+01
      3  -0.957167D-02  0.644799D+01  0.248736D-01 -0.103127D-01  0.389001D-02
      4  -0.639821D+01 -0.137866D-02  0.570208D+01  0.528940D+01  0.776061D+01
      5   0.239215D+01  0.372448D+01  0.186793D-01  0.332281D+01 -0.405674D-01
      6   0.368720D+01 -0.250356D+01 -0.342414D+01 -0.295676D-01  0.336438D+01
                36            37            38            39            40 
      1   0.850205D+00 -0.192308D+01  0.134844D+01  0.109581D+01  0.581104D+01
      2   0.893087D+00 -0.527268D+01 -0.111318D+01 -0.370341D+01 -0.808264D+01
      3  -0.174329D+01  0.719576D+01 -0.235258D+00  0.260761D+01  0.227161D+01
      4  -0.307718D-01  0.113955D+02 -0.477634D+01 -0.233641D+01 -0.699561D+01
      5  -0.423912D-01 -0.425108D+01  0.243484D+01  0.341862D+01  0.391069D+01
      6  -0.257541D-01 -0.105292D+01 -0.632357D+00 -0.639170D+00  0.394917D+00
                41            42            43            44            45 
      1  -0.190154D+02  0.107435D+02  0.175788D+01  0.610485D+01  0.459495D+01
      2   0.197290D+02 -0.116819D+02 -0.109951D+01 -0.606428D+01  0.933160D+01
      3  -0.713596D+00  0.938389D+00 -0.658374D+00 -0.405670D-01 -0.139265D+02
      4   0.310584D+01 -0.342898D+01 -0.305920D+00 -0.115673D+01  0.249505D+01
      5   0.369106D+01 -0.197051D+00  0.371755D+01  0.303444D+00 -0.111960D+01
      6  -0.121757D+02  0.794686D+01  0.792741D+00  0.544176D+01  0.711863D+01
                46            47            48            49            50 
      1   0.429853D+01  0.100370D+02  0.101825D+02  0.422183D+01  0.139559D+02
      2  -0.645826D+01 -0.485873D+01 -0.802914D+01 -0.141818D+01 -0.182681D+02
      3   0.215973D+01 -0.517825D+01 -0.215332D+01 -0.280365D+01  0.431216D+01
      4   0.914335D+01  0.118674D+02  0.737615D+01  0.823384D+01 -0.974593D+00
      5   0.609993D+01  0.397308D+01  0.641187D+01  0.248462D+01  0.579827D+01
      6   0.862893D+01  0.359061D+01  0.190480D+01  0.442092D+01 -0.245169D+01
                51            52            53            54            55 
      1   0.616226D+00  0.355000D+01  0.153725D+01  0.103593D+02  0.718711D+01
      2  -0.242729D+01 -0.402389D+01 -0.101203D+01  0.356692D+01 -0.669369D+01
      3   0.181106D+01  0.473894D+00 -0.525217D+00 -0.139262D+02 -0.493420D+00
      4   0.325870D+01  0.466034D+01  0.143048D+01  0.860961D+00 -0.125940D+02
      5   0.243463D+01  0.551593D+01  0.288970D+00 -0.559820D+01 -0.129254D+02
      6   0.494244D+01  0.826674D+00  0.370396D+01 -0.449411D+01 -0.894418D+01
                56            57            58            59            60 
      1  -0.112254D+02 -0.153418D+02 -0.150509D+02 -0.196407D+02 -0.165504D+01
      2   0.682221D+00  0.661779D+01  0.223066D+01  0.117429D+02 -0.423591D+01
      3   0.105431D+02  0.872397D+01  0.128203D+02  0.789783D+01  0.589095D+01
      4  -0.229539D+02 -0.666615D+01 -0.277654D+02 -0.872305D+01 -0.186595D+02
      5  -0.299809D+01 -0.900818D+01 -0.587498D+01 -0.216866D+02  0.435532D+01
      6  -0.468346D+01 -0.808737D-01 -0.974666D+01 -0.536513D+01 -0.455041D+01
                61            62            63            64            65 
      1  -0.112516D+02  0.388956D+00 -0.538572D+01 -0.437603D+02  0.807802D+01
      2   0.388348D+01 -0.479006D+01  0.182207D+01  0.297421D+02 -0.221998D+01
      3   0.736812D+01  0.440111D+01  0.356365D+01  0.140182D+02 -0.585805D+01
      4  -0.555760D+01 -0.152919D+02  0.144545D+01  0.870316D+00  0.103403D+02
      5  -0.810972D+01  0.240730D+01  0.303065D+01  0.251418D+02 -0.175466D+01
      6  -0.113535D+01 -0.481129D+01  0.248280D+01  0.880666D+00 -0.431196D+01
                66            67            68            69            70 
      1   0.233868D+02  0.141326D+02  0.169372D+02 -0.807487D+01  0.186116D+02
      2  -0.129277D+02 -0.618473D+01 -0.105547D+02  0.868892D+01 -0.101171D+02
      3  -0.104591D+02 -0.794782D+01 -0.638241D+01 -0.614047D+00 -0.849449D+01
      4   0.323577D+01  0.115634D+02 -0.419808D+01  0.101204D+02  0.813677D+00
      5  -0.556885D+01 -0.698577D+01  0.109662D+02 -0.504002D+01 -0.624006D+01
      6  -0.553674D+00 -0.201253D+01  0.885603D+01 -0.829708D+01 -0.409124D-01
                71            72            73            74            75 
      1  -0.613262D+01 -0.137177D+01  0.187853D+02 -0.243330D+01 -0.999427D+01
      2   0.715578D+01 -0.225549D+01 -0.178768D+02  0.123418D+01  0.939990D+01
      3  -0.102315D+01  0.362727D+01 -0.908510D+00  0.119913D+01  0.594364D+00
      4   0.870659D+01 -0.385272D+01  0.992801D+01 -0.867474D+01 -0.582169D+01
      5  -0.353209D+01 -0.407600D+01 -0.123482D+02 -0.173685D+01  0.802837D+01
      6  -0.665048D+01  0.834670D-01  0.115120D+01  0.463107D+01  0.416238D+00
                76            77            78            79            80 
      1   0.345269D+01 -0.856287D+01 -0.427484D+01 -0.562163D+01 -0.175363D+01
      2  -0.221893D+01  0.120566D+01  0.156470D+01  0.549378D+01  0.241175D+01
      3  -0.123376D+01  0.735721D+01  0.271014D+01  0.127842D+00 -0.658112D+00
      4  -0.513989D+01  0.875231D+01 -0.363894D+01 -0.260218D+01 -0.102976D+01
      5  -0.233829D+01 -0.804683D+00 -0.107395D+00  0.539771D+01  0.100413D+01
      6   0.308157D+01 -0.339275D+01  0.339182D+01  0.507598D+00  0.391154D+01
                81            82            83            84            85 
      1   0.869277D+01 -0.662533D+00  0.494721D+01  0.290522D+01  0.685185D+01
      2   0.526862D+01 -0.458522D+01 -0.984000D+01 -0.243869D+00 -0.924329D+01
      3  -0.139614D+02  0.524775D+01  0.489279D+01 -0.266135D+01  0.239144D+01
      4   0.299750D+01 -0.273830D+01  0.104388D+02 -0.947970D+01  0.453723D+01
      5   0.711755D+01  0.184110D+01 -0.497946D+00  0.468477D+01  0.120487D+01
      6  -0.201501D+00 -0.529967D+01  0.706656D+01 -0.181471D+01  0.722544D+01
                86            87            88            89            90 
      1   0.686396D+01  0.110104D+01 -0.778166D+00  0.214711D+00  0.877983D+01
      2  -0.801170D+01 -0.298745D+00  0.131486D+00 -0.610064D+00  0.519604D+01
      3   0.114774D+01 -0.802291D+00  0.646680D+00  0.395353D+00 -0.139759D+02
      4  -0.182736D+02  0.759507D+01 -0.486901D+01  0.402749D+01 -0.301049D+01
      5   0.674761D+01 -0.231603D+01  0.489031D+01 -0.744959D+00 -0.341073D+01
      6  -0.506760D+01  0.672667D+01 -0.130464D+01  0.438336D+01  0.631327D+01
                91            92            93            94            95 
      1   0.583722D+01 -0.127216D+02 -0.110375D+02 -0.132890D+02 -0.660798D+00
      2   0.161531D+01  0.169827D+02  0.535807D+01  0.197323D+02 -0.142996D+02
      3  -0.745253D+01 -0.426110D+01  0.567941D+01 -0.644330D+01  0.149604D+02
      4  -0.103055D+02 -0.915734D+01  0.671963D+01 -0.143171D+02  0.317294D+02
      5  -0.887988D+01 -0.279607D+01 -0.999462D+01 -0.210522D+01 -0.176391D+02
      6   0.727551D+01 -0.296950D+01  0.235307D+01 -0.884374D+01  0.192505D+02
                96            97            98            99           100 
      1  -0.755008D+01 -0.849551D+01 -0.762173D+01 -0.540368D+01 -0.273564D+02
      2   0.163617D+02  0.351032D+01  0.144002D+02  0.168314D+01  0.113082D+02
      3  -0.881164D+01  0.498518D+01 -0.677844D+01  0.372054D+01  0.160482D+02
      4  -0.162040D+02  0.497259D+01 -0.116766D+02  0.157205D+01  0.301537D+02
      5  -0.211011D+01 -0.797479D+01 -0.102944D+01  0.218478D+01  0.224887D+02
      6  -0.379954D+01  0.247794D+01 -0.477798D+01 -0.373717D+01 -0.139392D+02
               101           102           103           104           105 
      1   0.186622D+02  0.194628D+02  0.149075D+02  0.950321D+01  0.584765D+01
      2  -0.152244D+02 -0.100502D+02 -0.135907D+02 -0.124231D+01 -0.103976D+02
      3  -0.343779D+01 -0.941258D+01 -0.131684D+01 -0.826091D+01  0.454998D+01
      4  -0.433516D+01 -0.134294D+02  0.140754D+00 -0.112970D+02  0.695358D+01
      5  -0.652480D+01 -0.388924D+01 -0.835007D+00  0.714528D+01  0.319276D+01
      6  -0.402804D+01 -0.130980D+01 -0.389464D+01 -0.893991D+01 -0.985381D+01
               106           107           108           109           110 
      1   0.166766D+02  0.426994D+01  0.125358D+01 -0.209920D+00 -0.961935D+01
      2  -0.928640D+01 -0.835288D+01 -0.491121D+01 -0.114874D+00  0.789138D+01
      3  -0.739019D+01  0.408294D+01  0.365763D+01  0.324794D+00  0.172797D+01
      4  -0.918420D+01  0.525689D+01  0.238608D+01 -0.206175D+02  0.114302D-01
      5  -0.496657D+01  0.286509D+01 -0.401506D+01 -0.762111D+01  0.674700D+01
      6  -0.690470D+00 -0.777221D+01  0.168458D+01  0.558489D+01  0.273089D+01
               111           112           113           114           115 
      1  -0.245323D+01 -0.116871D+02 -0.677975D+01  0.198350D+01 -0.174971D+01
      2   0.295443D+01  0.755845D+01  0.628601D+00  0.779814D+00  0.147983D+01
      3  -0.501195D+00  0.412862D+01  0.615115D+01 -0.276331D+01  0.269879D+00
      4   0.833407D+01  0.572597D+01 -0.210125D+01 -0.849518D+01  0.429061D+01
      5   0.720282D+01  0.677978D+01 -0.362312D+01 -0.149535D+01  0.456771D+01
      6  -0.199630D+01  0.106903D+01  0.154745D+01  0.419511D+01 -0.764813D+00
               116           117           118           119           120 
      1   0.116454D+01  0.597988D+01  0.783390D+02 -0.135178D+01 -0.197995D+02
      2  -0.183802D+01  0.798375D+01 -0.449654D+02  0.179540D+01  0.135737D+02
      3   0.673478D+00 -0.139636D+02 -0.333735D+02 -0.443617D+00  0.622573D+01
      4  -0.396863D+01 -0.334478D+01  0.930766D+01  0.811719D+01 -0.210970D+01
      5  -0.134648D+01  0.677082D+01 -0.311184D+02  0.536106D+00  0.181855D+02
      6   0.461889D+01 -0.261109D+01 -0.328237D+01 -0.171730D+01  0.286343D+01
               121           122           123           124           125 
      1  -0.130807D+02  0.721105D+01  0.459880D+01 -0.163910D+02  0.105208D+01
      2   0.909933D+01 -0.393564D+01 -0.441670D+01  0.132175D+02 -0.172540D+01
      3   0.398141D+01 -0.327541D+01 -0.182094D+00  0.317348D+01  0.673322D+00
      4   0.930453D+01 -0.101771D+01 -0.438507D+01 -0.239131D+01 -0.346847D+01
      5   0.576086D+01 -0.565286D+01 -0.280549D+01  0.213886D+02  0.575781D-01
      6  -0.250988D+01 -0.772555D+00  0.267774D+01  0.300854D+01  0.264732D+01
               126           127           128           129           130 
      1   0.128047D+02  0.557803D+00  0.536365D+01 -0.715111D+01  0.469202D+01
      2  -0.105133D+02  0.462371D+00 -0.375919D+01  0.352682D+01 -0.156460D+01
      3  -0.229141D+01 -0.102017D+01 -0.160446D+01  0.362428D+01 -0.312741D+01
      4   0.192944D+01  0.212956D+01  0.187737D+00 -0.137437D+01  0.710363D+01
      5  -0.128935D+02 -0.466034D+01 -0.897616D+00  0.577194D+00 -0.342257D+01
      6  -0.149683D+01 -0.345093D+01  0.261829D+01 -0.189738D+01 -0.197117D+01
               131           132           133           134           135 
      1  -0.130781D+02  0.732858D+01 -0.632303D+01  0.530623D+01 -0.653509D+01
      2   0.179127D+02 -0.602399D+01  0.344913D+01 -0.329436D+01  0.200681D+01
      3  -0.483461D+01 -0.130459D+01  0.287390D+01 -0.201187D+01  0.452829D+01
      4   0.220819D+02 -0.100817D+02 -0.435688D+01 -0.857136D+01  0.786235D+01
      5  -0.100495D+02  0.116985D+02  0.478389D+01  0.835927D+01 -0.104127D+02
      6  -0.164848D+02  0.124124D+02  0.136417D+01  0.109279D+02 -0.107772D+02
               136           137           138           139           140 
      1   0.322530D+02  0.157545D+02  0.929833D+01  0.195508D+02  0.110541D+02
      2  -0.119321D+02 -0.302865D+01 -0.448515D+01 -0.223236D+01  0.512662D+01
      3  -0.203209D+02 -0.127258D+02 -0.481318D+01 -0.173184D+02 -0.161807D+02
      4   0.297895D+02  0.221340D+02  0.893061D+01  0.318869D+02  0.329208D+02
      5   0.173341D+02  0.889231D+01  0.123738D+02  0.126805D+02  0.142103D+02
      6   0.783715D+01  0.548404D+01  0.459742D+01  0.936054D+01  0.113468D+02
               141           142           143           144           145 
      1   0.339905D+01  0.826078D+01  0.211769D+01  0.600328D+01  0.142520D+02
      2   0.551801D+00 -0.524397D+01 -0.656791D+00 -0.373824D+01 -0.962791D+01
      3  -0.395085D+01 -0.301681D+01 -0.146090D+01 -0.226504D+01 -0.462405D+01
      4   0.138601D+02  0.962629D+01  0.102366D+02  0.108179D+02 -0.529823D+01
      5   0.102850D+02  0.159765D+02  0.101887D+02  0.113199D+02  0.118208D+02
      6   0.840017D+01  0.721715D+01  0.816817D+01  0.674985D+01 -0.939358D+00
               146           147           148           149           150 
      1  -0.619548D+01  0.813969D+01 -0.133185D+02  0.791776D+01 -0.304541D+01
      2   0.449471D+01 -0.601110D+01  0.100878D+02 -0.677124D+01  0.631079D+01
      3   0.170077D+01 -0.212859D+01  0.323070D+01 -0.114652D+01 -0.326538D+01
      4   0.741698D+01 -0.164665D+01  0.106484D+02 -0.158449D+02  0.101273D+02
      5  -0.383959D+01  0.970503D+01 -0.863914D+01  0.120416D+02 -0.137465D+02
      6   0.195423D+01 -0.175140D+00  0.408256D+01 -0.584323D+01  0.329552D+01
               151           152           153           154           155 
      1   0.940512D+01 -0.692214D+00  0.423116D+01  0.520268D+01 -0.500367D+01
      2  -0.827377D+01  0.404286D+01 -0.876419D+01  0.391287D+01 -0.481908D+01
      3  -0.113135D+01 -0.335065D+01  0.453303D+01 -0.911555D+01  0.982275D+01
      4  -0.101189D+01  0.725782D+01 -0.617953D+01 -0.164959D+02  0.186380D+02
      5   0.118022D+02 -0.774414D+01  0.148630D+02  0.735054D+01 -0.552365D+01
      6  -0.742932D+00  0.395513D+01 -0.220280D+01 -0.642687D+01  0.450840D+01
               156           157           158           159           160 
      1   0.351393D+01 -0.143078D+01 -0.135359D+02  0.591672D+01  0.164224D+01
      2  -0.592103D+00 -0.129919D+02  0.409603D+02 -0.114159D+02  0.532353D+00
      3  -0.292183D+01  0.144227D+02 -0.274244D+02  0.549914D+01 -0.217459D+01
      4  -0.618935D+01  0.266541D+02 -0.457022D+02  0.143290D+02 -0.747268D+01
      5   0.652688D+01 -0.759289D+01  0.144989D+02 -0.958277D+01  0.865564D+01
      6  -0.381088D+01  0.961200D+01 -0.234242D+02  0.143014D+02 -0.738635D+01
               161           162           163           164           165 
      1   0.526072D+01 -0.302719D+01  0.245894D+02  0.673498D+01  0.100023D+02
      2  -0.767040D+01  0.531445D+01 -0.186824D+02 -0.701735D+01 -0.937922D+01
      3   0.240968D+01 -0.228727D+01 -0.590703D+01  0.282365D+00 -0.623073D+00
      4   0.118664D+02 -0.110546D+02 -0.290955D+01  0.516865D+01 -0.198057D+01
      5  -0.103602D+02  0.774172D+01  0.164551D+02  0.306616D+01  0.137991D+02
      6   0.153716D+02 -0.104192D+02 -0.265354D+01  0.174680D+01 -0.419575D+01
               166           167           168           169           170 
      1   0.143500D+02  0.700516D+01  0.544478D+01  0.866164D+01  0.184507D+01
      2  -0.130773D+02 -0.710216D+01 -0.928220D+01 -0.901896D+01 -0.532976D+01
      3  -0.127278D+01  0.969958D-01  0.383743D+01  0.357323D+00  0.348469D+01
      4   0.293167D+01  0.423552D+01  0.499677D+01 -0.365753D+01  0.523967D+01
      5   0.835366D+01  0.815926D+01  0.957449D+01  0.135559D+02  0.369618D+01
      6   0.188733D+01 -0.103784D+00 -0.752487D+00 -0.328820D+01  0.210954D+01
               171           172           173           174           175 
      1   0.669468D+01  0.550316D+02 -0.135190D+02 -0.148537D+02 -0.373234D+01
      2  -0.111570D+02 -0.247588D+02  0.190800D+01  0.903097D+01 -0.344958D+01
      3   0.446229D+01 -0.302727D+02  0.116110D+02  0.582278D+01  0.718192D+01
      4  -0.256547D+00 -0.421332D+02  0.207435D+02  0.123037D+02  0.148247D+02
      5   0.143547D+02 -0.268369D+02  0.791037D+01  0.159061D+02  0.273304D+01
      6  -0.348915D+01  0.126414D+02 -0.542409D+01 -0.833679D+01 -0.412231D+01
               176           177           178           179           180 
      1   0.507444D+01 -0.794338D+00 -0.107728D+02  0.107347D+01  0.803533D+01
      2   0.135738D+01  0.298817D+01  0.812104D+01  0.734684D+00 -0.573587D+01
      3  -0.643182D+01 -0.219383D+01  0.265173D+01 -0.180815D+01 -0.229946D+01
      4  -0.112820D+02 -0.496661D+01  0.106086D+02 -0.596036D+01 -0.959017D+01
      5  -0.557457D+01 -0.263348D+01  0.175601D+02 -0.621453D+01 -0.113078D+02
      6   0.515871D+01  0.494779D+01 -0.915962D+01  0.646222D+01  0.628085D+01
               181           182           183           184           185 
      1  -0.523569D+01 -0.117845D+02 -0.907568D+01 -0.658848D+01 -0.198374D+02
      2   0.519939D+01  0.122042D+02  0.521075D+01  0.545914D+01  0.258338D+02
      3   0.363044D-01 -0.419663D+00  0.386493D+01  0.112934D+01 -0.599637D+01
      4   0.163229D+01  0.722421D+00  0.343499D+01  0.464999D+01 -0.804246D+01
      5  -0.151929D+01  0.121185D+01 -0.122684D+01  0.180695D+01 -0.448637D+01
      6   0.665643D+01  0.724859D+01  0.758258D+01  0.201677D+01  0.174098D+02
               186           187           188           189           190 
      1  -0.980284D+01 -0.549831D+01 -0.857546D+01 -0.107894D+02 -0.120489D+01
      2   0.996354D+01  0.206182D+01  0.782611D+01  0.631576D+01  0.135227D+02
      3  -0.160701D+00  0.343649D+01  0.749343D+00  0.447369D+01 -0.123178D+02
      4  -0.403660D+01  0.489898D+01 -0.531941D+01 -0.255091D+01  0.247164D+02
      5  -0.612877D+01  0.224337D+01 -0.477706D+01 -0.538370D+01  0.776004D+01
      6   0.141991D+02  0.220069D+01  0.134330D+02  0.138082D+02  0.125844D+02
               191           192           193           194           195 
      1  -0.771696D+01 -0.211315D+01 -0.610316D+01 -0.211630D+02 -0.693427D+01
      2   0.239078D+02  0.539576D+01  0.178011D+02  0.453843D+02  0.122430D+02
      3  -0.161908D+02 -0.328260D+01 -0.116979D+02 -0.242212D+02 -0.530876D+01
      4   0.281480D+02  0.120053D+02  0.192314D+02  0.293153D+02  0.849004D+01
      5   0.792297D+01  0.653834D+01  0.459217D+01  0.712590D+01  0.382415D+01
      6   0.130381D+02  0.950830D+01  0.880238D+01  0.212772D+02  0.142448D+02
               196           197           198           199           200 
      1  -0.226083D+01 -0.790615D+01 -0.638768D+01 -0.368702D+01  0.750080D+01
      2   0.333312D+01  0.111188D+02  0.864590D+01  0.552448D+01 -0.111035D+02
      3  -0.107229D+01 -0.321264D+01 -0.225821D+01 -0.183747D+01  0.360270D+01
      4   0.850894D+01  0.877105D+01  0.921382D+01 -0.199002D+02  0.117526D+02
      5   0.606224D+01  0.591679D+01  0.523101D+01 -0.828241D+01  0.440691D+01
      6   0.891510D+01  0.181190D+02  0.121499D+02  0.126762D+02 -0.793611D+01
               201           202           203           204           205 
      1   0.421404D+01  0.298490D+01 -0.660948D+01 -0.477149D+01  0.304791D+01
      2  -0.126366D+01 -0.507651D+01  0.106380D+02  0.723036D+01  0.121084D+00
      3  -0.295038D+01  0.209161D+01 -0.402852D+01 -0.245886D+01 -0.316899D+01
      4   0.113380D+02  0.694575D+01 -0.559977D+01 -0.198218D+01  0.792182D+01
      5   0.521000D+01  0.165431D+01 -0.163761D+01 -0.766526D+00  0.516384D+01
      6  -0.143680D+02 -0.344501D+01  0.998875D+01  0.779984D+01 -0.856658D+01
               206           207           208           209           210 
      1  -0.724147D+01 -0.695480D+01 -0.499299D+01  0.117412D+02 -0.490796D+01
      2   0.867640D+01  0.244380D+01  0.923713D+01 -0.196522D+02  0.590690D+01
      3  -0.143493D+01  0.451100D+01 -0.424414D+01  0.791099D+01 -0.998935D+00
      4  -0.223580D+01 -0.760329D+01 -0.517393D+01  0.121005D+02 -0.569234D+01
      5  -0.158829D+01 -0.412206D+01  0.647196D+00 -0.326990D+01  0.295398D+01
      6   0.105457D+02  0.143966D+02 -0.692800D+01  0.867211D+01 -0.484468D+01
               211           212           213           214           215 
      1   0.495126D+01 -0.438080D+02  0.130112D+02 -0.250892D+01  0.130764D+02
      2  -0.836442D+01  0.762356D+02 -0.191621D+02  0.224468D+01 -0.162957D+02
      3   0.341316D+01 -0.324275D+02  0.615086D+01  0.264240D+00  0.321929D+01
      4   0.846997D+01 -0.433703D+01  0.155392D+01 -0.388290D+01  0.102305D+01
      5  -0.178471D+01  0.153667D+00  0.857611D+00  0.257063D+01  0.530511D+00
      6   0.351362D+01 -0.300835D+02  0.179157D+02 -0.243489D+01  0.214345D+02
               216           217           218           219           220 
      1  -0.106035D+02  0.123354D+02 -0.163194D+01 -0.365122D+01 -0.202367D+01
      2   0.128940D+02 -0.817531D+01  0.517029D+01  0.542388D+01  0.403906D+01
      3  -0.229052D+01 -0.416007D+01 -0.353835D+01 -0.177267D+01 -0.201540D+01
      4  -0.117429D+01  0.242726D+02  0.898596D+01 -0.113701D+02  0.187254D+01
      5   0.210611D+00 -0.149663D+02 -0.310861D+01  0.109425D+02  0.113130D+01
      6  -0.129557D+02 -0.114575D+02 -0.446455D+01  0.130675D+02 -0.135756D+01
               221           222           223           224           225 
      1  -0.799618D+00  0.325846D+01 -0.148214D+01  0.425029D+01 -0.186054D+00
      2   0.249632D+01 -0.668958D+01  0.384686D+01 -0.683565D+01 -0.432467D+01
      3  -0.169670D+01  0.343113D+01 -0.236473D+01  0.258536D+01  0.451072D+01
      4   0.307125D+01 -0.140826D+01 -0.891787D+01 -0.415088D+01  0.869364D+01
      5  -0.283873D+01 -0.541384D+00  0.955389D+01  0.199641D+01 -0.931417D+01
      6  -0.572585D+01  0.204260D+01  0.898829D+01  0.615918D+01 -0.117228D+02
               226           227           228           229           230 
      1   0.118568D+02  0.171634D+01 -0.145462D+01 -0.206711D+01  0.225993D+01
      2  -0.379865D+01 -0.716651D+01  0.422600D+00 -0.151998D+01  0.254028D+01
      3  -0.805815D+01  0.545017D+01  0.103202D+01  0.358709D+01 -0.480021D+01
      4  -0.225726D+02  0.101279D+02 -0.396954D+01  0.856285D+01 -0.673491D+01
      5   0.104325D+02 -0.446769D+01  0.423002D+01 -0.229337D+01  0.114557D+01
      6  -0.361120D+01  0.632444D+01 -0.526994D+01  0.140477D+01  0.292128D+00
               231           232           233           234           235 
      1  -0.133520D+01 -0.903695D+00 -0.357324D+01  0.142435D+01 -0.709830D+00
      2   0.139691D+01 -0.171049D+01  0.607295D+01 -0.315331D+01 -0.212480D+01
      3  -0.617159D-01  0.261419D+01 -0.249971D+01  0.172897D+01  0.283463D+01
      4   0.123139D+01  0.194510D+01 -0.442769D+00 -0.302693D+01 -0.116315D+01
      5  -0.125804D+01  0.208936D+01 -0.579210D+00  0.173956D+01  0.155612D+01
      6   0.931840D+00 -0.252541D+01 -0.850912D+00 -0.306841D+00 -0.243337D+01
               236           237           238           239           240 
      1  -0.286383D+01  0.189211D+01 -0.167441D+01  0.122392D+01 -0.143726D+01
      2   0.287881D+01 -0.816102D+00  0.110705D+01 -0.411077D+01 -0.283494D+01
      3  -0.149798D-01 -0.107601D+01  0.567362D+00  0.288685D+01  0.427220D+01
      4   0.231212D+01 -0.299077D+01  0.269551D+00 -0.733386D-01  0.185177D-01
      5  -0.929073D+00  0.486349D+01 -0.246459D+00 -0.120441D+01  0.101513D+01
      6  -0.124001D+01  0.914944D+00 -0.890744D+00  0.638421D+00  0.117505D+01
               241           242           243           244           245 
      1  -0.972996D+00  0.591766D+01 -0.161725D+02  0.280493D+02 -0.194748D+01
      2  -0.295016D+01 -0.371502D+01 -0.181777D+02 -0.172649D+02  0.491283D+01
      3   0.392316D+01 -0.220264D+01  0.343501D+02 -0.107844D+02 -0.296535D+01
      4  -0.365366D+01  0.382372D+00 -0.308989D+01  0.153273D+02  0.596626D+01
      5   0.426160D+01 -0.911047D+00  0.546294D+01  0.127734D+02  0.164243D+01
      6  -0.326416D+01  0.731073D+01 -0.219191D+02  0.934927D+00  0.344812D+01
               246           247           248           249           250 
      1   0.216909D+01 -0.608590D+00  0.454137D+01  0.105112D+01 -0.147511D+01
      2  -0.315129D+01  0.174507D+01 -0.246351D+01 -0.712393D+00 -0.188006D+01
      3   0.982199D+00 -0.113648D+01 -0.207785D+01 -0.338722D+00  0.335517D+01
      4   0.316272D+01  0.154401D+01  0.201823D-01 -0.139825D+01 -0.292899D+01
      5   0.604357D+01 -0.223038D+01 -0.801280D+00 -0.850463D+00  0.277957D+01
      6   0.314695D+01 -0.262270D+00 -0.229008D+01 -0.886643D+00  0.103519D+01
               251           252           253           254           255 
      1   0.263777D+01  0.291044D+01  0.180522D+01  0.310568D+01  0.396563D+01
      2  -0.394180D+01 -0.462594D+01 -0.444395D+01 -0.321996D+01 -0.134039D+01
      3   0.130403D+01  0.171550D+01  0.263873D+01  0.114285D+00 -0.262524D+01
      4  -0.277145D+01  0.539182D+00 -0.413136D+00 -0.973181D+00  0.125993D+01
      5  -0.901598D+00  0.172542D+01  0.191286D+01 -0.972475D+00  0.363933D+01
      6  -0.150660D+01 -0.390939D+00  0.529548D+00 -0.176890D+01 -0.193419D+01
               256           257           258           259           260 
      1   0.924601D+00 -0.139654D+01  0.150482D+00 -0.397571D+00 -0.441655D+01
      2  -0.456330D+00 -0.167956D+01  0.337926D+01 -0.407784D+01  0.388957D+01
      3  -0.468271D+00  0.307610D+01 -0.352974D+01  0.447541D+01  0.526975D+00
      4  -0.138206D+01 -0.109304D+01  0.253236D-01  0.314581D+01  0.266845D+01
      5  -0.147346D+01 -0.900733D+00 -0.203852D+01  0.618836D+01  0.137178D+01
      6  -0.119279D+01  0.986689D+00  0.240032D+01  0.372717D+01  0.538252D+01
               261           262           263           264           265 
      1  -0.142763D+02  0.210459D+02  0.826982D+01 -0.202244D+01  0.128782D+02
      2  -0.200744D+02 -0.115179D+02 -0.553030D+01  0.258974D+01 -0.828539D+01
      3   0.343507D+02 -0.952793D+01 -0.273952D+01 -0.567294D+00 -0.459286D+01
      4   0.147554D+01  0.943044D+01  0.947767D+01 -0.214252D+01  0.621837D+01
      5   0.134398D+02 -0.672640D+01 -0.330713D+01  0.459795D+01 -0.864010D+01
      6   0.181408D+02 -0.352350D+01 -0.340982D+01  0.104696D+01 -0.286161D+01
               266           267           268           269           270 
      1   0.699997D+01 -0.275540D+01  0.507134D+01  0.733053D+00  0.618293D+00
      2  -0.369842D+01  0.362380D+01 -0.160637D+01  0.295064D+00 -0.236245D+01
      3  -0.330155D+01 -0.868391D+00 -0.346497D+01 -0.102812D+01  0.174415D+01
      4   0.119243D+02 -0.149340D+00 -0.310800D+01  0.249604D+01  0.350417D+01
      5  -0.202280D+01  0.505547D+01  0.124845D+01  0.302466D+01 -0.116368D+01
      6  -0.485297D+01  0.584886D+00  0.107806D+01  0.221408D-01 -0.135735D+01
               271           272           273           274           275 
      1  -0.204914D+01  0.565336D+00 -0.339387D+01  0.131029D+01 -0.140997D+01
      2  -0.570402D+00 -0.123662D+00 -0.847059D+00 -0.142980D+01 -0.167844D+01
      3   0.261955D+01 -0.441674D+00  0.424093D+01  0.119513D+00  0.308841D+01
      4   0.420055D+01 -0.375459D+00 -0.822016D+00  0.191721D+01 -0.691446D+00
      5   0.697988D+00 -0.141044D+01  0.126017D+01 -0.144209D+01 -0.243578D+01
      6  -0.389264D+00 -0.518891D+00  0.106496D+01 -0.128695D+01  0.992034D+00
               276           277           278           279           280 
      1  -0.880983D+00 -0.177414D+01  0.197273D+00 -0.150120D+02 -0.442747D+01
      2   0.206333D+01  0.563650D+01  0.209027D+01 -0.193487D+02  0.690420D+01
      3  -0.118234D+01 -0.386236D+01 -0.228754D+01  0.343607D+02 -0.247673D+01
      4  -0.261402D+01  0.210544D+01 -0.430999D+01  0.240916D+01  0.861621D+01
      5   0.114744D+01  0.835451D+01  0.894675D+00 -0.217058D+02 -0.390084D+01
      6   0.479232D+01 -0.145086D+01  0.321833D+01  0.623439D+01 -0.101404D+01
               281           282           283           284           285 
      1  -0.836219D+01  0.306997D+01 -0.661172D+01 -0.155157D+02  0.347383D+01
      2   0.120784D+02 -0.230242D+01  0.842445D+01  0.259076D+02 -0.279211D+01
      3  -0.371625D+01 -0.767548D+00 -0.181272D+01 -0.103919D+02 -0.681716D+00
      4   0.371638D+01  0.917788D+00  0.787215D+01  0.635774D+01 -0.135812D+01
      5  -0.185310D+01 -0.162697D+00 -0.312017D+01 -0.325102D+01  0.419259D+00
      6  -0.812593D+01  0.441217D+01 -0.292476D+01 -0.862779D+01  0.528921D+01
               286           287           288           289           290 
      1  -0.311987D+00 -0.759712D+00 -0.321093D+01 -0.125770D+01 -0.183487D+01
      2   0.874113D+00  0.434216D+01  0.148869D+01 -0.186572D+01  0.164576D+01
      3  -0.562127D+00 -0.358245D+01  0.172224D+01  0.312342D+01  0.189112D+00
      4   0.287895D+01 -0.350186D+01  0.298993D+01 -0.742265D+00  0.836174D+00
      5  -0.512540D+00  0.839687D+00 -0.119343D+01  0.143810D+01 -0.835360D+00
      6   0.278163D+01  0.174005D+01 -0.129365D+01 -0.184437D+01 -0.193439D+01
               291           292           293           294           295 
      1   0.277326D+01  0.441131D-01 -0.193966D+01 -0.298692D+00  0.251957D+01
      2  -0.101744D+01  0.337534D+00 -0.652531D+00 -0.371684D+01 -0.720176D+00
      3  -0.175582D+01 -0.381647D+00  0.259219D+01  0.401553D+01 -0.179939D+01
      4  -0.206853D+01 -0.110723D+01  0.429116D+01 -0.736826D+00 -0.428791D+01
      5   0.443708D+01 -0.821506D-01 -0.623817D+00  0.147128D+01  0.336690D+01
      6   0.159033D+01 -0.178922D+01  0.170845D+00  0.163141D+01  0.263565D+00
               296           297           298           299           300 
      1   0.535777D+01 -0.199206D+02 -0.326118D+01  0.355136D+01  0.192123D+00
      2  -0.120156D+01 -0.144176D+02  0.493050D+01 -0.362013D+01  0.262396D+00
      3  -0.415621D+01  0.343383D+02 -0.166932D+01  0.687708D-01 -0.454519D+00
      4   0.245163D+01  0.177682D+01 -0.186942D+01  0.390268D+00 -0.185390D+01
      5  -0.210942D+01  0.898087D+01 -0.257810D+01 -0.199497D+00 -0.105770D+01
      6   0.821748D+01 -0.207433D+02 -0.819362D+00 -0.405121D+01 -0.178327D+01
               301           302           303           304           305 
      1   0.556395D+01 -0.195774D+02 -0.391109D+01 -0.291043D+01 -0.152656D+01
      2  -0.377452D+01  0.307221D+02  0.299114D+01  0.205494D+01 -0.196602D+01
      3  -0.178943D+01 -0.111447D+02  0.919952D+00  0.855482D+00  0.349258D+01
      4   0.523182D+01  0.985716D+01  0.214009D+01 -0.312849D+01 -0.332806D+01
      5   0.297201D+01 -0.336462D+00  0.221114D+01 -0.144760D+01  0.474353D+00
      6   0.265823D+00  0.125755D+02  0.623495D+01 -0.146647D+01  0.270657D+01
               306           307           308           309           310 
      1  -0.463894D+01 -0.103289D+01  0.346964D+00  0.349553D+01 -0.243511D+01
      2   0.290140D+01 -0.206811D+01  0.545586D-01 -0.342230D+00  0.226509D+01
      3   0.173754D+01  0.310100D+01 -0.401523D+00 -0.315330D+01  0.170026D+00
      4  -0.463237D+00 -0.662887D+00 -0.143259D+01  0.368925D+00 -0.169037D+01
      5  -0.598539D+00  0.142421D+01 -0.832537D+00  0.294309D+01 -0.147401D+01
      6   0.167362D+01 -0.357673D+00 -0.191799D+01 -0.212232D+01 -0.150536D+01
               311           312           313           314           315 
      1  -0.455209D+01 -0.110743D+01  0.365630D+01 -0.436032D+01 -0.203513D+02
      2   0.195336D+01  0.420135D+01 -0.359658D+01 -0.119224D+00 -0.140080D+02
      3   0.259873D+01 -0.309392D+01 -0.597183D-01  0.447954D+01  0.343593D+02
      4  -0.163505D+01  0.588033D+00  0.328765D+01  0.301956D+01  0.662723D+00
      5  -0.511129D-01 -0.204350D+01  0.473962D+01  0.352718D+01  0.162430D+02
      6   0.154028D+01  0.309040D+01  0.118541D+01  0.682129D+01  0.156597D+02
               316           317           318           319           320 
      1   0.602023D+01 -0.324298D+01  0.833567D+00 -0.913654D+01  0.639896D+00
      2   0.156530D-01 -0.615369D+00 -0.632444D+00  0.341891D+01  0.618489D+01
      3  -0.603589D+01  0.385835D+01 -0.201123D+00  0.571763D+01 -0.682479D+01
      4  -0.897526D+01  0.103106D+02  0.201856D+01  0.105977D+02 -0.213084D+02
      5  -0.107569D+01  0.220083D+01  0.184297D+01  0.735790D+01 -0.374745D+01
      6   0.207202D+01 -0.312266D+01 -0.158600D+01 -0.461470D+01  0.898289D+01
               321           322           323           324           325 
      1   0.153748D+01  0.624092D+01 -0.139912D+01 -0.228514D+01 -0.435556D+01
      2  -0.254574D+01 -0.341581D+01 -0.874181D+00  0.551876D+00  0.154808D+01
      3   0.100826D+01 -0.282511D+01  0.227330D+01  0.173326D+01  0.280748D+01
      4  -0.333442D+01  0.579108D+00  0.190587D+01 -0.352349D+01 -0.124243D+01
      5  -0.557578D+01 -0.392747D+00 -0.284183D+01 -0.532055D+00  0.978483D+00
      6   0.330673D+01 -0.907456D+00  0.162059D+01  0.168394D+01 -0.884999D+00
               326           327           328           329           330 
      1   0.662233D+00 -0.279199D+01  0.184089D+01 -0.142022D+01 -0.356851D+00
      2  -0.122338D+01 -0.158833D+01 -0.182507D+01 -0.148737D+01  0.871477D+00
      3   0.561143D+00  0.438032D+01 -0.158187D-01  0.290759D+01 -0.514626D+00
      4   0.631643D+00  0.265845D+00  0.299112D+01 -0.830618D+00 -0.323429D+01
      5  -0.377981D+00  0.987359D+00 -0.633257D+00 -0.281847D+01  0.404386D+00
      6  -0.645687D+00  0.498786D+00 -0.136789D+01  0.998670D+00  0.505434D+01
               331           332           333 
      1  -0.336250D+01 -0.243195D+01 -0.173495D+02
      2   0.605636D+01 -0.117190D+01 -0.170079D+02
      3  -0.269386D+01  0.360385D+01  0.343574D+02
      4  -0.383469D+00 -0.387344D+01 -0.324194D+01
      5   0.780209D+01 -0.279530D+01 -0.224395D+02
      6  -0.442858D+00  0.377695D+01  0.254817D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Sat Jul 24 18:00:37 2021, MaxMem= 16106127360 cpu:           47306.3 elap:            2963.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -14.92628 -14.92626 -14.92625 -14.92625 -14.92624
 Alpha  occ. eigenvalues --  -14.92623 -10.74332 -10.74331 -10.74330 -10.74311
 Alpha  occ. eigenvalues --  -10.74311 -10.74310  -3.83020  -2.57249  -2.57249
 Alpha  occ. eigenvalues --   -2.56851  -1.46277  -1.45093  -1.45092  -1.42475
 Alpha  occ. eigenvalues --   -1.42474  -1.42449  -1.24540  -1.24338  -1.24338
 Alpha  occ. eigenvalues --   -1.12734  -1.12732  -1.11571  -1.05386  -1.04964
 Alpha  occ. eigenvalues --   -1.04962  -1.04812  -1.02720  -1.02719  -1.02390
 Alpha  occ. eigenvalues --   -1.02296  -1.02295  -0.95999  -0.95998  -0.95229
 Alpha  occ. eigenvalues --   -0.94348  -0.94237  -0.94236  -0.92097  -0.91118
 Alpha  occ. eigenvalues --   -0.91117  -0.87294  -0.87293  -0.86747  -0.85256
 Alpha  occ. eigenvalues --   -0.85256  -0.84774  -0.82915  -0.82069  -0.82068
 Alpha  occ. eigenvalues --   -0.79888  -0.79886  -0.79804
 Alpha virt. eigenvalues --   -0.40718  -0.40712  -0.33117  -0.30988  -0.30226
 Alpha virt. eigenvalues --   -0.30224  -0.26047  -0.25964  -0.25964  -0.24314
 Alpha virt. eigenvalues --   -0.24302  -0.24301  -0.22241  -0.22240  -0.21100
 Alpha virt. eigenvalues --   -0.20367  -0.20365  -0.19844  -0.19107  -0.19107
 Alpha virt. eigenvalues --   -0.18618  -0.17569  -0.17281  -0.17277  -0.16190
 Alpha virt. eigenvalues --   -0.16189  -0.15449  -0.14907  -0.14907  -0.14664
 Alpha virt. eigenvalues --   -0.14662  -0.13327  -0.12745  -0.12745  -0.12737
 Alpha virt. eigenvalues --   -0.11987  -0.11359  -0.11358  -0.10504  -0.10499
 Alpha virt. eigenvalues --   -0.10283  -0.10280  -0.10140  -0.09744  -0.09298
 Alpha virt. eigenvalues --   -0.08763  -0.07410  -0.07408  -0.06163  -0.06037
 Alpha virt. eigenvalues --   -0.05011  -0.05008  -0.04445  -0.03371  -0.03135
 Alpha virt. eigenvalues --   -0.02911  -0.02907  -0.01648  -0.01646  -0.00260
 Alpha virt. eigenvalues --   -0.00252   0.00226   0.00226   0.00736   0.00737
 Alpha virt. eigenvalues --    0.02120   0.02120   0.03176   0.03355   0.05049
 Alpha virt. eigenvalues --    0.05053   0.05118   0.05206   0.05210   0.05792
 Alpha virt. eigenvalues --    0.06093   0.06098   0.06961   0.06962   0.07962
 Alpha virt. eigenvalues --    0.08616   0.08619   0.08815   0.09333   0.09336
 Alpha virt. eigenvalues --    0.09609   0.10259   0.10260   0.10886   0.10932
 Alpha virt. eigenvalues --    0.10933   0.11899   0.11902   0.13280   0.13353
 Alpha virt. eigenvalues --    0.13357   0.13901   0.14283   0.14285   0.14881
 Alpha virt. eigenvalues --    0.15344   0.16167   0.16169   0.17079   0.18104
 Alpha virt. eigenvalues --    0.18104   0.18202   0.18204   0.18673   0.19070
 Alpha virt. eigenvalues --    0.19480   0.19484   0.20309   0.20311   0.20570
 Alpha virt. eigenvalues --    0.20659   0.21999   0.22001   0.22634   0.22636
 Alpha virt. eigenvalues --    0.22778   0.24210   0.24414   0.24415   0.24472
 Alpha virt. eigenvalues --    0.24864   0.25293   0.25297   0.26837   0.26840
 Alpha virt. eigenvalues --    0.27052   0.27056   0.27347   0.28562   0.28566
 Alpha virt. eigenvalues --    0.28611   0.30335   0.30799   0.30802   0.31575
 Alpha virt. eigenvalues --    0.31576   0.31799   0.32058   0.32777   0.32782
 Alpha virt. eigenvalues --    0.33723   0.34399   0.34403   0.34938   0.35899
 Alpha virt. eigenvalues --    0.36043   0.36045   0.37038   0.37039   0.37344
 Alpha virt. eigenvalues --    0.37348   0.38230   0.40241   0.40711   0.40715
 Alpha virt. eigenvalues --    0.41484   0.43257   0.43260   0.43495   0.45128
 Alpha virt. eigenvalues --    0.45361   0.47211   0.47216   0.47619   0.48272
 Alpha virt. eigenvalues --    0.48273   0.48743   0.48748   0.51159   0.51162
 Alpha virt. eigenvalues --    0.51733   0.52385   0.52388   0.53734   0.53739
 Alpha virt. eigenvalues --    0.55003   0.55859   0.57069   0.57080   0.58859
 Alpha virt. eigenvalues --    0.58866   0.61931   0.62890   0.63458   0.63461
 Alpha virt. eigenvalues --    0.64418   0.64782   0.67168   0.67171   0.69957
 Alpha virt. eigenvalues --    0.69958   0.70767   0.70842   0.71373   0.71374
 Alpha virt. eigenvalues --    0.73096   0.73098   0.73700   0.73977   0.73978
 Alpha virt. eigenvalues --    0.75201   0.75607   0.75610   0.75781   0.76494
 Alpha virt. eigenvalues --    0.76496   0.78991   0.79375   0.81487   0.81491
 Alpha virt. eigenvalues --    0.82588   0.82597   0.86288   0.86330   0.86333
 Alpha virt. eigenvalues --    0.87808   0.87813   0.88404   0.91155   0.91162
 Alpha virt. eigenvalues --    0.91502   0.94375   0.94377   0.95903   0.95914
 Alpha virt. eigenvalues --    0.97853   1.02225   1.02236   1.03081   1.08393
 Alpha virt. eigenvalues --    1.08403   1.11453   1.11460   1.13441   1.14107
 Alpha virt. eigenvalues --    1.15479   1.15492   1.15590   1.21391   1.21398
 Alpha virt. eigenvalues --    1.22907   1.26493   1.26501   1.29412   1.30199
 Alpha virt. eigenvalues --    1.30201   1.30381   1.31416   1.31421   1.33792
 Alpha virt. eigenvalues --    1.33796   1.36394   1.39617   1.40411   1.40418
 Alpha virt. eigenvalues --    1.40487   1.42896   1.42898   1.45156   1.46459
 Alpha virt. eigenvalues --    1.46467   1.48558   1.48616   1.49697   1.49706
 Alpha virt. eigenvalues --    1.52612   1.52618   1.53437   1.53443   1.54662
 Alpha virt. eigenvalues --    1.55330   1.56115   1.56117   1.58952   1.58955
 Alpha virt. eigenvalues --    1.59797   1.61743   1.61745   1.62795   1.65188
 Alpha virt. eigenvalues --    1.65242   1.65251   1.66961   1.67070   1.67077
 Alpha virt. eigenvalues --    1.68312   1.69753   1.70128   1.71466   1.71470
 Alpha virt. eigenvalues --    1.71765   1.74322   1.74335   1.76238   1.76489
 Alpha virt. eigenvalues --    1.76838   1.76839   1.78025   1.78027   1.79256
 Alpha virt. eigenvalues --    1.81862   1.81868   1.84535   1.84542   1.84654
 Alpha virt. eigenvalues --    1.84891   1.85223   1.85229   1.88133   1.88322
 Alpha virt. eigenvalues --    1.88325   1.89044   1.90027   1.90794   1.90799
 Alpha virt. eigenvalues --    1.92746   1.92758   1.94341   1.95008   1.95011
 Alpha virt. eigenvalues --    1.97401   1.98183   1.98185   1.99570   2.01974
 Alpha virt. eigenvalues --    2.02375   2.02388   2.07159   2.07765   2.07769
 Alpha virt. eigenvalues --    2.08830   2.08832   2.10152   2.12906   2.15097
 Alpha virt. eigenvalues --    2.15099   2.16295   2.16297   2.16496   2.19016
 Alpha virt. eigenvalues --    2.19019   2.19934   2.22721   2.22728   2.23686
 Alpha virt. eigenvalues --    2.23689   2.24052   2.24308   2.26021   2.26026
 Alpha virt. eigenvalues --    2.29881   2.33746   2.33749   2.33981   2.33991
 Alpha virt. eigenvalues --    2.35253   2.35627   2.42982   2.42985   2.46081
 Alpha virt. eigenvalues --    2.46877   2.46879   2.49709   2.50260   2.50269
 Alpha virt. eigenvalues --    2.51124   2.51442   2.51447   2.51816   2.57337
 Alpha virt. eigenvalues --    2.57344   2.58163   2.58168   2.58570   2.63199
 Alpha virt. eigenvalues --    2.68434   2.68439   2.69227   2.73172   2.73174
 Alpha virt. eigenvalues --    2.78457   2.78460   2.79978   2.86598   2.88651
 Alpha virt. eigenvalues --    2.88653   2.88817   2.89833   2.89836   3.04527
 Alpha virt. eigenvalues --    3.06283   3.07188   3.07189   3.10917   3.10922
 Alpha virt. eigenvalues --    3.12432   3.30276   3.30284   3.30548   3.32372
 Alpha virt. eigenvalues --    3.33490   3.33493  49.33747
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.604067   0.157983   0.120168   0.101085  -0.583769   0.005478
     2  C    0.157983   4.604369  -0.583990   0.101080   0.120085  -0.006647
     3  N    0.120168  -0.583990  12.577357  -1.570901   0.127391  -0.078767
     4  Rh   0.101085   0.101080  -1.570901  20.121793  -1.569668  -1.571614
     5  N   -0.583769   0.120085   0.127391  -1.569668  12.571039  -0.200830
     6  N    0.005478  -0.006647  -0.078767  -1.571614  -0.200830  12.574784
     7  C    0.001181  -0.001550  -0.006629   0.101087   0.025396  -0.583751
     8  C   -0.000627   0.001179   0.005481   0.101076  -0.001654   0.120192
     9  N   -0.001701   0.025498  -0.201406  -1.571217   0.047709   0.127421
    10  N   -0.006616   0.005487  -0.201100  -1.569320  -0.078563   0.047722
    11  C   -0.001552   0.001179   0.025549   0.100800  -0.006643  -0.001680
    12  C    0.001182  -0.000630  -0.001637   0.101212   0.005478   0.025384
    13  N    0.025437  -0.001657   0.047400  -1.570074  -0.200807  -0.200796
    14  H   -0.000112  -0.000162   0.000508   0.022757   0.006052   0.031068
    15  H   -0.000008   0.000244   0.004765   0.125186  -0.000061  -0.096521
    16  H   -0.000045   0.000063   0.000494   0.022900   0.003685  -0.142721
    17  H    0.001042  -0.000312   0.000490   0.124925  -0.045078  -0.254277
    18  H    0.000062  -0.000045   0.003683   0.022763   0.000493   0.006032
    19  H   -0.000312   0.001037  -0.045015   0.125186   0.000483  -0.000049
    20  H   -0.000163  -0.000111   0.006080   0.022899   0.000508   0.003677
    21  H    0.000245  -0.000008  -0.000049   0.124770   0.004737  -0.045022
    22  H    0.000729   0.408513  -0.141814   0.022794   0.030945   0.000494
    23  H    0.011357   0.279837  -0.255329   0.125119  -0.096520   0.000485
    24  H    0.408512   0.000796   0.030900   0.022892  -0.142512   0.000505
    25  H    0.279858   0.011228  -0.096504   0.124848  -0.254177   0.004757
    26  H    0.108641  -0.040181  -0.019435   0.194883  -0.577523   0.006245
    27  H    0.142282  -0.015851   0.002708   0.248643  -0.787649   0.025479
    28  H   -0.040169   0.108712  -0.579608   0.195027  -0.019480  -0.002475
    29  H   -0.015856   0.142263  -0.788961   0.248711   0.002785   0.001735
    30  H    0.008508  -0.002468  -0.023248   0.194759   0.006314   0.018547
    31  H   -0.002104  -0.003191  -0.005138   0.248602   0.025522  -0.013780
    32  H    0.000043  -0.000705   0.018650   0.195089  -0.002471  -0.023080
    33  H    0.000084   0.000735  -0.013720   0.248551   0.001720  -0.005204
    34  H   -0.000701   0.000043  -0.002471   0.195134   0.018560  -0.578250
    35  H    0.000735   0.000090   0.001734   0.248802  -0.013830  -0.788280
    36  H   -0.002487   0.008489   0.006196   0.195434  -0.023170  -0.019536
    37  H   -0.003189  -0.002121   0.025806   0.248755  -0.005180   0.002804
               7          8          9         10         11         12
     1  C    0.001181  -0.000627  -0.001701  -0.006616  -0.001552   0.001182
     2  C   -0.001550   0.001179   0.025498   0.005487   0.001179  -0.000630
     3  N   -0.006629   0.005481  -0.201406  -0.201100   0.025549  -0.001637
     4  Rh   0.101087   0.101076  -1.571217  -1.569320   0.100800   0.101212
     5  N    0.025396  -0.001654   0.047709  -0.078563  -0.006643   0.005478
     6  N   -0.583751   0.120192   0.127421   0.047722  -0.001680   0.025384
     7  C    4.604039   0.158086   0.120230  -0.001614  -0.000629   0.001181
     8  C    0.158086   4.604113  -0.583593   0.025389   0.001180  -0.001548
     9  N    0.120230  -0.583593  12.577911  -0.201159   0.005475  -0.006621
    10  N   -0.001614   0.025389  -0.201159  12.573699  -0.583324   0.119981
    11  C   -0.000629   0.001180   0.005475  -0.583324   4.604395   0.157906
    12  C    0.001181  -0.001548  -0.006621   0.119981   0.157906   4.603986
    13  N    0.005459  -0.006644  -0.078674   0.127153   0.120332  -0.584060
    14  H    0.000695   0.408543  -0.141919   0.003691  -0.000045   0.000062
    15  H    0.011234   0.279869  -0.255546  -0.045013   0.001036  -0.000310
    16  H    0.408471   0.000822   0.030989   0.006078  -0.000112  -0.000162
    17  H    0.279740   0.011205  -0.096587  -0.000055  -0.000008   0.000245
    18  H   -0.000111  -0.000161   0.000510  -0.141500   0.408669   0.000605
    19  H   -0.000008   0.000244   0.004775  -0.255492   0.279700   0.011396
    20  H   -0.000045   0.000063   0.000493   0.030853   0.000917   0.408371
    21  H    0.001042  -0.000313   0.000491  -0.096427   0.011178   0.279910
    22  H    0.000062  -0.000045   0.003682   0.000511  -0.000163  -0.000112
    23  H   -0.000311   0.001039  -0.045007   0.004758   0.000245  -0.000008
    24  H   -0.000162  -0.000112   0.006059   0.000493   0.000063  -0.000045
    25  H    0.000245  -0.000007  -0.000046   0.000490  -0.000315   0.001042
    26  H    0.008506  -0.002483  -0.023267  -0.002462   0.000042  -0.000699
    27  H   -0.002093  -0.003191  -0.005160   0.001733   0.000092   0.000735
    28  H    0.000043  -0.000705   0.018649   0.006172   0.008500  -0.002511
    29  H    0.000086   0.000735  -0.013729   0.025798  -0.002128  -0.003198
    30  H   -0.000699   0.000042  -0.002472  -0.019342  -0.040199   0.108707
    31  H    0.000735   0.000092   0.001734   0.002699  -0.015904   0.142387
    32  H   -0.002532   0.008514   0.006077  -0.579252   0.108585  -0.040163
    33  H   -0.003201  -0.002115   0.025781  -0.788833   0.142143  -0.015810
    34  H    0.108703  -0.040153  -0.019438  -0.023427  -0.002454   0.008501
    35  H    0.142409  -0.015895   0.002758  -0.005174  -0.003191  -0.002084
    36  H   -0.040140   0.108733  -0.580102   0.018635  -0.000705   0.000045
    37  H   -0.015881   0.142325  -0.789200  -0.013711   0.000735   0.000086
              13         14         15         16         17         18
     1  C    0.025437  -0.000112  -0.000008  -0.000045   0.001042   0.000062
     2  C   -0.001657  -0.000162   0.000244   0.000063  -0.000312  -0.000045
     3  N    0.047400   0.000508   0.004765   0.000494   0.000490   0.003683
     4  Rh  -1.570074   0.022757   0.125186   0.022900   0.124925   0.022763
     5  N   -0.200807   0.006052  -0.000061   0.003685  -0.045078   0.000493
     6  N   -0.200796   0.031068  -0.096521  -0.142721  -0.254277   0.006032
     7  C    0.005459   0.000695   0.011234   0.408471   0.279740  -0.000111
     8  C   -0.006644   0.408543   0.279869   0.000822   0.011205  -0.000161
     9  N   -0.078674  -0.141919  -0.255546   0.030989  -0.096587   0.000510
    10  N    0.127153   0.003691  -0.045013   0.006078  -0.000055  -0.141500
    11  C    0.120332  -0.000045   0.001036  -0.000112  -0.000008   0.408669
    12  C   -0.584060   0.000062  -0.000310  -0.000162   0.000245   0.000605
    13  N   12.572381   0.000493   0.000486   0.000503   0.004745   0.030981
    14  H    0.000493   1.004166  -0.192953  -0.012316  -0.035562   0.000006
    15  H    0.000486  -0.192953   1.009691  -0.035584   0.049867   0.000060
    16  H    0.000503  -0.012316  -0.035584   1.004341  -0.193031  -0.000030
    17  H    0.004745  -0.035562   0.049867  -0.193031   1.009535  -0.000001
    18  H    0.030981   0.000006   0.000060  -0.000030  -0.000001   1.004039
    19  H   -0.096571  -0.000012   0.000194  -0.000001  -0.000010  -0.193032
    20  H   -0.142631  -0.000001   0.000012   0.000006  -0.000011  -0.012434
    21  H   -0.254028   0.000011   0.000346   0.000062   0.000192  -0.035416
    22  H    0.006050   0.000006  -0.000012  -0.000001   0.000011   0.000006
    23  H   -0.000045   0.000061   0.000194   0.000011   0.000347  -0.000012
    24  H    0.003686  -0.000030  -0.000001   0.000006   0.000061  -0.000001
    25  H   -0.045043  -0.000001  -0.000010  -0.000011   0.000193   0.000011
    26  H    0.018570  -0.000597   0.000422  -0.002388   0.019649   0.000011
    27  H   -0.013783  -0.000419  -0.000168  -0.000139   0.005202  -0.000012
    28  H   -0.022975  -0.000006  -0.000234   0.000011  -0.000069  -0.002389
    29  H   -0.005142  -0.000116   0.000095  -0.000012  -0.000007  -0.000139
    30  H   -0.577646   0.000011  -0.000069  -0.000006  -0.000233   0.000914
    31  H   -0.787545  -0.000012  -0.000006  -0.000116   0.000096  -0.004978
    32  H   -0.019500  -0.002384   0.019618  -0.000607   0.000424  -0.025881
    33  H    0.002855  -0.000141   0.005188  -0.000421  -0.000169   0.060273
    34  H    0.006279   0.000883   0.012586  -0.025857   0.058842  -0.000588
    35  H    0.025512  -0.004979   0.000202   0.060606   0.015765  -0.000417
    36  H   -0.002465  -0.025879   0.058998   0.000914   0.012581  -0.000006
    37  H    0.001731   0.060384   0.016172  -0.004974   0.000217  -0.000117
              19         20         21         22         23         24
     1  C   -0.000312  -0.000163   0.000245   0.000729   0.011357   0.408512
     2  C    0.001037  -0.000111  -0.000008   0.408513   0.279837   0.000796
     3  N   -0.045015   0.006080  -0.000049  -0.141814  -0.255329   0.030900
     4  Rh   0.125186   0.022899   0.124770   0.022794   0.125119   0.022892
     5  N    0.000483   0.000508   0.004737   0.030945  -0.096520  -0.142512
     6  N   -0.000049   0.003677  -0.045022   0.000494   0.000485   0.000505
     7  C   -0.000008  -0.000045   0.001042   0.000062  -0.000311  -0.000162
     8  C    0.000244   0.000063  -0.000313  -0.000045   0.001039  -0.000112
     9  N    0.004775   0.000493   0.000491   0.003682  -0.045007   0.006059
    10  N   -0.255492   0.030853  -0.096427   0.000511   0.004758   0.000493
    11  C    0.279700   0.000917   0.011178  -0.000163   0.000245   0.000063
    12  C    0.011396   0.408371   0.279910  -0.000112  -0.000008  -0.000045
    13  N   -0.096571  -0.142631  -0.254028   0.006050  -0.000045   0.003686
    14  H   -0.000012  -0.000001   0.000011   0.000006   0.000061  -0.000030
    15  H    0.000194   0.000012   0.000346  -0.000012   0.000194  -0.000001
    16  H   -0.000001   0.000006   0.000062  -0.000001   0.000011   0.000006
    17  H   -0.000010  -0.000011   0.000192   0.000011   0.000347   0.000061
    18  H   -0.193032  -0.012434  -0.035416   0.000006  -0.000012  -0.000001
    19  H    1.010114  -0.035356   0.049754   0.000060   0.000194   0.000012
    20  H   -0.035356   1.004040  -0.192806  -0.000030  -0.000001   0.000006
    21  H    0.049754  -0.192806   1.009008  -0.000001  -0.000010  -0.000011
    22  H    0.000060  -0.000030  -0.000001   1.003942  -0.192948  -0.012395
    23  H    0.000194  -0.000001  -0.000010  -0.192948   1.009718  -0.035438
    24  H    0.000012   0.000006  -0.000011  -0.012395  -0.035438   1.004257
    25  H    0.000347   0.000061   0.000193  -0.035414   0.049758  -0.193033
    26  H   -0.000069  -0.000006  -0.000233   0.000923   0.012525  -0.025862
    27  H   -0.000006  -0.000116   0.000098  -0.004975   0.000210   0.060560
    28  H    0.019661  -0.000602   0.000421  -0.025922   0.058981   0.000945
    29  H    0.005177  -0.000421  -0.000170   0.060404   0.016127  -0.004974
    30  H    0.012515  -0.025926   0.058805  -0.000591   0.000418  -0.002392
    31  H    0.000220   0.060609   0.015710  -0.000418  -0.000170  -0.000138
    32  H    0.058974   0.000956   0.012488  -0.000006  -0.000234   0.000011
    33  H    0.016253  -0.004971   0.000197  -0.000116   0.000095  -0.000012
    34  H    0.000419  -0.002387   0.019637   0.000011  -0.000068  -0.000006
    35  H   -0.000169  -0.000141   0.005206  -0.000012  -0.000007  -0.000116
    36  H   -0.000235   0.000011  -0.000069  -0.002386   0.019635  -0.000600
    37  H    0.000094  -0.000012  -0.000007  -0.000139   0.005182  -0.000419
              25         26         27         28         29         30
     1  C    0.279858   0.108641   0.142282  -0.040169  -0.015856   0.008508
     2  C    0.011228  -0.040181  -0.015851   0.108712   0.142263  -0.002468
     3  N   -0.096504  -0.019435   0.002708  -0.579608  -0.788961  -0.023248
     4  Rh   0.124848   0.194883   0.248643   0.195027   0.248711   0.194759
     5  N   -0.254177  -0.577523  -0.787649  -0.019480   0.002785   0.006314
     6  N    0.004757   0.006245   0.025479  -0.002475   0.001735   0.018547
     7  C    0.000245   0.008506  -0.002093   0.000043   0.000086  -0.000699
     8  C   -0.000007  -0.002483  -0.003191  -0.000705   0.000735   0.000042
     9  N   -0.000046  -0.023267  -0.005160   0.018649  -0.013729  -0.002472
    10  N    0.000490  -0.002462   0.001733   0.006172   0.025798  -0.019342
    11  C   -0.000315   0.000042   0.000092   0.008500  -0.002128  -0.040199
    12  C    0.001042  -0.000699   0.000735  -0.002511  -0.003198   0.108707
    13  N   -0.045043   0.018570  -0.013783  -0.022975  -0.005142  -0.577646
    14  H   -0.000001  -0.000597  -0.000419  -0.000006  -0.000116   0.000011
    15  H   -0.000010   0.000422  -0.000168  -0.000234   0.000095  -0.000069
    16  H   -0.000011  -0.002388  -0.000139   0.000011  -0.000012  -0.000006
    17  H    0.000193   0.019649   0.005202  -0.000069  -0.000007  -0.000233
    18  H    0.000011   0.000011  -0.000012  -0.002389  -0.000139   0.000914
    19  H    0.000347  -0.000069  -0.000006   0.019661   0.005177   0.012515
    20  H    0.000061  -0.000006  -0.000116  -0.000602  -0.000421  -0.025926
    21  H    0.000193  -0.000233   0.000098   0.000421  -0.000170   0.058805
    22  H   -0.035414   0.000923  -0.004975  -0.025922   0.060404  -0.000591
    23  H    0.049758   0.012525   0.000210   0.058981   0.016127   0.000418
    24  H   -0.193033  -0.025862   0.060560   0.000945  -0.004974  -0.002392
    25  H    1.009548   0.058817   0.015775   0.012486   0.000212   0.019670
    26  H    0.058817   0.726687   0.028806  -0.000985   0.000619  -0.000319
    27  H    0.015775   0.028806   0.812162   0.000636  -0.001647   0.008475
    28  H    0.012486  -0.000985   0.000636   0.727733   0.029125   0.026105
    29  H    0.000212   0.000619  -0.001647   0.029125   0.812769   0.001908
    30  H    0.019670  -0.000319   0.008475   0.026105   0.001908   0.726938
    31  H    0.005193  -0.004019   0.009673   0.001879   0.000155   0.028819
    32  H   -0.000069   0.000364   0.000038  -0.000324  -0.004044  -0.000985
    33  H   -0.000008   0.000037  -0.000174   0.008485   0.009598   0.000603
    34  H   -0.000234  -0.000311  -0.004017   0.000364   0.000037  -0.000313
    35  H    0.000097   0.008482   0.009712   0.000037  -0.000174  -0.004015
    36  H    0.000421   0.026111   0.001900  -0.000321   0.008492   0.000364
    37  H   -0.000169   0.001911   0.000157  -0.004045   0.009615   0.000037
              31         32         33         34         35         36
     1  C   -0.002104   0.000043   0.000084  -0.000701   0.000735  -0.002487
     2  C   -0.003191  -0.000705   0.000735   0.000043   0.000090   0.008489
     3  N   -0.005138   0.018650  -0.013720  -0.002471   0.001734   0.006196
     4  Rh   0.248602   0.195089   0.248551   0.195134   0.248802   0.195434
     5  N    0.025522  -0.002471   0.001720   0.018560  -0.013830  -0.023170
     6  N   -0.013780  -0.023080  -0.005204  -0.578250  -0.788280  -0.019536
     7  C    0.000735  -0.002532  -0.003201   0.108703   0.142409  -0.040140
     8  C    0.000092   0.008514  -0.002115  -0.040153  -0.015895   0.108733
     9  N    0.001734   0.006077   0.025781  -0.019438   0.002758  -0.580102
    10  N    0.002699  -0.579252  -0.788833  -0.023427  -0.005174   0.018635
    11  C   -0.015904   0.108585   0.142143  -0.002454  -0.003191  -0.000705
    12  C    0.142387  -0.040163  -0.015810   0.008501  -0.002084   0.000045
    13  N   -0.787545  -0.019500   0.002855   0.006279   0.025512  -0.002465
    14  H   -0.000012  -0.002384  -0.000141   0.000883  -0.004979  -0.025879
    15  H   -0.000006   0.019618   0.005188   0.012586   0.000202   0.058998
    16  H   -0.000116  -0.000607  -0.000421  -0.025857   0.060606   0.000914
    17  H    0.000096   0.000424  -0.000169   0.058842   0.015765   0.012581
    18  H   -0.004978  -0.025881   0.060273  -0.000588  -0.000417  -0.000006
    19  H    0.000220   0.058974   0.016253   0.000419  -0.000169  -0.000235
    20  H    0.060609   0.000956  -0.004971  -0.002387  -0.000141   0.000011
    21  H    0.015710   0.012488   0.000197   0.019637   0.005206  -0.000069
    22  H   -0.000418  -0.000006  -0.000116   0.000011  -0.000012  -0.002386
    23  H   -0.000170  -0.000234   0.000095  -0.000068  -0.000007   0.019635
    24  H   -0.000138   0.000011  -0.000012  -0.000006  -0.000116  -0.000600
    25  H    0.005193  -0.000069  -0.000008  -0.000234   0.000097   0.000421
    26  H   -0.004019   0.000364   0.000037  -0.000311   0.008482   0.026111
    27  H    0.009673   0.000038  -0.000174  -0.004017   0.009712   0.001900
    28  H    0.001879  -0.000324   0.008485   0.000364   0.000037  -0.000321
    29  H    0.000155  -0.004044   0.009598   0.000037  -0.000174   0.008492
    30  H    0.028819  -0.000985   0.000603  -0.000313  -0.004015   0.000364
    31  H    0.811838   0.000647  -0.001649   0.008484   0.009685   0.000037
    32  H    0.000647   0.727415   0.029178   0.026145   0.001890  -0.000314
    33  H   -0.001649   0.029178   0.813056   0.001931   0.000161  -0.004046
    34  H    0.008484   0.026145   0.001931   0.727065   0.029136  -0.000968
    35  H    0.009685   0.001890   0.000161   0.029136   0.812134   0.000631
    36  H    0.000037  -0.000314  -0.004046  -0.000968   0.000631   0.727703
    37  H   -0.000174   0.008486   0.009623   0.000613  -0.001650   0.029339
              37
     1  C   -0.003189
     2  C   -0.002121
     3  N    0.025806
     4  Rh   0.248755
     5  N   -0.005180
     6  N    0.002804
     7  C   -0.015881
     8  C    0.142325
     9  N   -0.789200
    10  N   -0.013711
    11  C    0.000735
    12  C    0.000086
    13  N    0.001731
    14  H    0.060384
    15  H    0.016172
    16  H   -0.004974
    17  H    0.000217
    18  H   -0.000117
    19  H    0.000094
    20  H   -0.000012
    21  H   -0.000007
    22  H   -0.000139
    23  H    0.005182
    24  H   -0.000419
    25  H   -0.000169
    26  H    0.001911
    27  H    0.000157
    28  H   -0.004045
    29  H    0.009615
    30  H    0.000037
    31  H   -0.000174
    32  H    0.008486
    33  H    0.009623
    34  H    0.000613
    35  H   -0.001650
    36  H    0.029339
    37  H    0.812467
 Mulliken charges:
               1
     1  C    0.680729
     2  C    0.680718
     3  N   -1.389637
     4  Rh   2.145232
     5  N   -1.389319
     6  N   -1.389531
     7  C    0.680728
     8  C    0.680325
     9  N   -1.389400
    10  N   -1.388956
    11  C    0.680332
    12  C    0.681197
    13  N   -1.389966
    14  H   -0.121753
    15  H    0.030032
    16  H   -0.121427
    17  H    0.030034
    18  H   -0.121851
    19  H    0.029527
    20  H   -0.121390
    21  H    0.030068
    22  H   -0.121644
    23  H    0.029810
    24  H   -0.121504
    25  H    0.029791
    26  H    0.478587
    27  H    0.464324
    28  H    0.478849
    29  H    0.464273
    30  H    0.478464
    31  H    0.464527
    32  H    0.478958
    33  H    0.464044
    34  H    0.478271
    35  H    0.464350
    36  H    0.478758
    37  H    0.464449
 Sum of Mulliken charges =   3.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.589017
     2  C    0.588884
     3  N   -0.446515
     4  Rh   2.145232
     5  N   -0.446408
     6  N   -0.446910
     7  C    0.589335
     8  C    0.588605
     9  N   -0.446194
    10  N   -0.445954
    11  C    0.588008
    12  C    0.589874
    13  N   -0.446974
 Electronic spatial extent (au):  <R**2>=           2772.8817
 Charge=              3.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0006    Y=              0.0003    Z=              0.0022  Tot=              0.0023
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -31.3973   YY=            -31.4016   ZZ=            -51.4040
   XY=             -0.0017   XZ=             -0.0013   YZ=             -0.0020
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              6.6703   YY=              6.6661   ZZ=            -13.3364
   XY=             -0.0017   XZ=             -0.0013   YZ=             -0.0020
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             20.3362  YYY=            -30.4574  ZZZ=              0.0143  XYY=            -20.3275
  XXY=             30.4630  XXZ=              0.0030  XZZ=              0.0114  YZZ=             -0.0005
  YYZ=             -0.0015  XYZ=              0.0013
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -954.0198 YYYY=           -953.8297 ZZZZ=           -403.3784 XXXY=             -0.0258
 XXXZ=            -31.5552 YYYX=             -0.0183 YYYZ=            -21.0582 ZZZX=             -0.0083
 ZZZY=             -0.0116 XXYY=           -317.9880 XXZZ=           -236.5913 YYZZ=           -236.5682
 XXYZ=             21.0299 YYXZ=             31.5464 ZZXY=              0.0014
 N-N= 1.198145727781D+03 E-N=-3.900734443006D+03  KE= 6.040987006626D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Sat Jul 24 18:00:38 2021, MaxMem= 16106127360 cpu:               5.9 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.91296448D-04 1.38903366D-04 8.50858411D-04
 Polarizability= 1.47873068D+02-2.36766975D-03 1.47869736D+02
                -9.99417547D-05-2.53382388D-03 1.22516732D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0022    0.0022        0.0012   -0.0008
 2     -0.0022   -0.0022        0.0012    0.0016       -0.0097   -0.0097
 3     -0.0012    0.0008       12.8428   12.8381       -0.0015   -0.0016
 4     -0.0012   -0.0016        0.0000    0.0000        0.0004    0.0008
 5    -12.8331  -12.8284       -0.0004   -0.0008        0.0010    0.0022
 6      0.0015    0.0016       -0.0010   -0.0022        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0066   -0.0066       -0.0023   -0.0023
 2     -0.0047   -0.0047        0.0000    0.0000       -0.0023   -0.0023
 3     -0.0047   -0.0047       -0.0066   -0.0066       -0.0000    0.0000
 4     -0.0066   -0.0066        0.0047    0.0047       -0.0291   -0.0291
 5      0.0023    0.0023       38.5142   38.5142       -0.0047   -0.0047
 6    -38.4851  -38.4851       -0.0023   -0.0023        0.0066    0.0066
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0287    0.0000       -0.6553   -0.0087       -0.0371    0.0030
 2      0.3572    0.0087       -0.0190   -0.0063        0.2050    0.0388
 3      0.2760   -0.0030      -51.2653  -51.3523       -0.1299    0.0063
 4      0.2709    0.0063       -0.3893    0.0000       -0.3694   -0.0030
 5     51.5367   51.3135        0.0681    0.0030        0.0973   -0.0087
 6      0.0030   -0.0063       -0.0827    0.0087       -0.1226    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0405    0.0000       -0.5802    0.0419       -0.5492    0.0011
 2     -0.3487   -0.0419       -0.1988   -0.0205        0.1767   -0.0247
 3     -0.0677   -0.0011       -1.9832   -1.5718       -0.5964    0.0205
 4      0.0917    0.0205       -0.8765    0.0000       -0.4947   -0.0011
 5      2.1248    1.5965       -0.4042    0.0011       -1.1307    0.0419
 6     -0.1126   -0.0205        1.0867   -0.0419        0.7492    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -56.2116  -55.8516      -83.6155  -83.7149        0.1281    0.0118
 2    -55.7745  -55.8708      -83.8525  -83.6849        0.0055    0.0118
 3    -55.8875  -55.8708      -83.7526  -83.7149        0.0375   -0.0042
 4      0.4015   -0.0300        0.3865    0.0192        0.1956    0.0050
 5     -0.1598   -0.0159      -31.3576  -31.0114       -0.0926   -0.0192
 6     30.6645   31.0064       -0.3914    0.0159       -0.5677    0.0300
 Full mass-weighted force constant matrix:
 Low frequencies ---   -7.2086   -0.0004   -0.0003    0.0004    3.3662   11.2833
 Low frequencies ---   79.3119   82.1585   89.6210
 Diagonal vibrational polarizability:
       12.5681142      12.4987150      14.3707008
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     79.3063                82.1497                89.6203
 Red. masses --      2.9290                 2.9306                 2.8178
 Frc consts  --      0.0109                 0.0117                 0.0133
 IR Inten    --      0.0043                 0.0049                 0.0046
 RamAct Fr= 1--      1.1111                 1.0642                 0.0414
  Dep-P Fr= 1--      0.7499                 0.7499                 0.7486
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8562
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.1587                 0.1520                 0.0059
 AlphaG Fr= 1--     -0.0000                -0.0000                -0.0000
 Gamma2 Fr= 1--     -0.4940                -0.5126                -0.0212
 Delta2 Fr= 1--     -0.0504                -0.0559                -0.0029
 Raman1 Fr= 1--       4.444                  4.257                  0.166
 ROA1   Fr= 1--     -49.033                -51.001                 -2.130
 CID1   Fr= 1--     -11.032                -11.982                -12.863
 Raman2 Fr= 1--       1.905                  1.824                  0.071
 ROA2   Fr= 1--     -11.452                -11.856                 -0.486
 CID2   Fr= 1--      -6.013                 -6.500                 -6.856
 Raman3 Fr= 1--       3.809                  3.648                  0.142
 ROA3   Fr= 1--     -49.033                -51.001                 -2.130
 CID3   Fr= 1--     -12.872                -13.980                -15.023
 RC180  Fr= 1--       0.714                  0.714                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.06  -0.01     0.18  -0.05  -0.04     0.06  -0.08  -0.11
     2   6     0.06  -0.05  -0.02     0.17  -0.00  -0.04     0.09   0.05  -0.11
     3   7     0.02  -0.06  -0.01    -0.01  -0.04   0.03    -0.04   0.05   0.04
     4  45    -0.02  -0.04   0.00    -0.04   0.02  -0.01    -0.01   0.00   0.05
     5   7    -0.04  -0.03   0.03     0.03   0.05   0.02    -0.05  -0.03   0.03
     6   7    -0.07   0.01   0.01    -0.02   0.03  -0.04     0.06  -0.03   0.02
     7   6    -0.06   0.15  -0.05    -0.03  -0.14   0.06     0.04   0.04  -0.09
     8   6    -0.09   0.10  -0.04     0.05  -0.15   0.06    -0.06  -0.01  -0.09
     9   7     0.01  -0.02   0.04    -0.04  -0.03  -0.01    -0.04  -0.07   0.03
    10   7     0.05  -0.02  -0.02    -0.06  -0.01  -0.04     0.06   0.01   0.03
    11   6     0.11   0.16   0.06    -0.02   0.07   0.03     0.01  -0.06  -0.10
    12   6     0.15   0.10   0.06     0.04   0.08   0.04    -0.07   0.02  -0.10
    13   7    -0.03   0.01  -0.04    -0.02   0.05   0.01    -0.00   0.08   0.03
    14   1    -0.07   0.19  -0.06     0.05  -0.26   0.13    -0.07   0.03  -0.16
    15   1    -0.20   0.04  -0.08     0.19  -0.11   0.05    -0.15  -0.04  -0.10
    16   1    -0.13   0.23  -0.10     0.05  -0.21   0.10     0.03   0.08  -0.16
    17   1     0.06   0.20  -0.03    -0.16  -0.17   0.09     0.13   0.07  -0.10
    18   1     0.24   0.21   0.11     0.01   0.08   0.04    -0.03  -0.10  -0.17
    19   1    -0.01   0.27   0.06    -0.08   0.10   0.07     0.09  -0.13  -0.10
    20   1     0.18   0.23   0.10     0.07   0.14   0.09    -0.10  -0.02  -0.17
    21   1     0.27  -0.01   0.08     0.11   0.04   0.01    -0.15   0.10  -0.11
    22   1     0.10  -0.07  -0.05     0.26  -0.08  -0.07     0.16   0.02  -0.19
    23   1     0.09  -0.00   0.01     0.19   0.14  -0.06     0.11   0.20  -0.12
    24   1     0.03  -0.04  -0.01     0.30  -0.01  -0.08     0.15  -0.07  -0.20
    25   1    -0.01  -0.09  -0.05     0.15  -0.19  -0.04     0.03  -0.22  -0.12
    26   1    -0.03  -0.00   0.08     0.08   0.16   0.09    -0.02   0.04   0.14
    27   1    -0.10  -0.02   0.03    -0.05   0.05   0.01    -0.18  -0.07   0.03
    28   1     0.02  -0.09  -0.02    -0.00  -0.15   0.12    -0.04  -0.03   0.15
    29   1     0.02  -0.05  -0.01    -0.10   0.00   0.02    -0.15   0.14   0.03
    30   1    -0.10   0.11  -0.14    -0.05   0.08  -0.01     0.02   0.04   0.12
    31   1    -0.08  -0.10  -0.03    -0.02   0.02   0.01     0.02   0.20   0.03
    32   1     0.15  -0.08  -0.11    -0.01  -0.02  -0.11     0.01   0.02   0.10
    33   1    -0.04  -0.08  -0.02    -0.13  -0.05  -0.03     0.16   0.03   0.02
    34   1    -0.16  -0.01   0.06     0.07   0.03  -0.15     0.02  -0.03   0.10
    35   1    -0.02  -0.04   0.00    -0.10   0.13  -0.03     0.14  -0.09   0.02
    36   1     0.08   0.03   0.13    -0.12  -0.08  -0.08    -0.01  -0.04   0.11
    37   1     0.02  -0.13   0.03    -0.03   0.06  -0.01    -0.06  -0.17   0.03
                      4                      5                      6
                      A                      A                      A
 Frequencies --    145.4431               146.0857               167.3231
 Red. masses --      2.9558                 2.9495                 2.6774
 Frc consts  --      0.0368                 0.0371                 0.0442
 IR Inten    --      0.9057                 0.8614                 0.0103
 RamAct Fr= 1--      0.3022                 0.3131                 1.4469
  Dep-P Fr= 1--      0.7500                 0.7493                 0.6850
  Dep-U Fr= 1--      0.8571                 0.8567                 0.8130
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0017
 Beta2  Fr= 1--      0.0432                 0.0447                 0.1961
 AlphaG Fr= 1--     -0.0000                -0.0000                -0.0143
 Gamma2 Fr= 1--      0.8415                 0.8655                -1.7102
 Delta2 Fr= 1--      0.1827                 0.1889                -0.3657
 Raman1 Fr= 1--       1.209                  1.252                  5.788
 ROA1   Fr= 1--      86.627                 89.134               -175.885
 CID1   Fr= 1--      71.668                 71.166                -30.390
 Raman2 Fr= 1--       0.518                  0.536                  2.353
 ROA2   Fr= 1--      18.734                 19.260                -38.120
 CID2   Fr= 1--      36.164                 35.900                -16.203
 Raman3 Fr= 1--       1.036                  1.073                  4.705
 ROA3   Fr= 1--      86.627                 89.134               -175.885
 CID3   Fr= 1--      83.612                 83.070                -37.379
 RC180  Fr= 1--       0.714                  0.713                  0.626
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.05   0.07     0.11  -0.03   0.06     0.08  -0.04  -0.01
     2   6     0.12  -0.02   0.05    -0.04  -0.04   0.07    -0.10  -0.00   0.01
     3   7     0.11  -0.04  -0.05    -0.08  -0.04   0.08    -0.09   0.02   0.07
     4  45    -0.01   0.01   0.00    -0.01  -0.01   0.00     0.00   0.00  -0.00
     5   7    -0.06   0.06   0.08     0.12  -0.00  -0.05     0.08  -0.02  -0.07
     6   7     0.06  -0.04  -0.00     0.01  -0.12   0.09    -0.02   0.09  -0.07
     7   6     0.04  -0.07  -0.08    -0.01  -0.09   0.03    -0.00   0.10  -0.01
     8   6    -0.02  -0.04  -0.09    -0.06   0.10   0.01     0.06  -0.09   0.01
     9   7    -0.05  -0.02  -0.04    -0.05   0.12  -0.08     0.04  -0.09   0.07
    10   7     0.05   0.11   0.09     0.08   0.03   0.01     0.05   0.07   0.07
    11   6     0.03   0.09   0.04     0.07   0.06  -0.08     0.04   0.09   0.01
    12   6    -0.10  -0.07   0.01    -0.01   0.04  -0.09    -0.08  -0.06  -0.01
    13   7    -0.09  -0.09  -0.08    -0.05   0.03  -0.05    -0.06  -0.07  -0.07
    14   1    -0.04  -0.05  -0.14    -0.07   0.17  -0.07     0.07  -0.17   0.10
    15   1    -0.04  -0.03  -0.06    -0.11   0.16   0.14     0.13  -0.14  -0.12
    16   1     0.08  -0.10  -0.09     0.01  -0.14   0.12    -0.05   0.17  -0.10
    17   1     0.04  -0.09  -0.12    -0.01  -0.16  -0.10     0.02   0.18   0.12
    18   1     0.07   0.13   0.13     0.12   0.07  -0.07     0.10   0.13   0.10
    19   1     0.05   0.16  -0.09     0.08   0.09  -0.13     0.05   0.17  -0.11
    20   1    -0.13  -0.14  -0.06    -0.03   0.05  -0.14    -0.12  -0.13  -0.09
    21   1    -0.16  -0.11   0.15    -0.04   0.03  -0.05    -0.16  -0.08   0.12
    22   1     0.17  -0.05   0.00    -0.08  -0.04   0.16    -0.17   0.03   0.09
    23   1     0.17  -0.01   0.15    -0.10  -0.05  -0.02    -0.17  -0.03  -0.11
    24   1    -0.06   0.06   0.15     0.18  -0.02   0.01     0.16  -0.04  -0.09
    25   1    -0.07   0.08  -0.03     0.16  -0.05   0.16     0.14  -0.10   0.11
    26   1    -0.05   0.06   0.16     0.11   0.03  -0.16     0.08   0.00  -0.14
    27   1    -0.13   0.12   0.07     0.23  -0.01  -0.04     0.15  -0.04  -0.06
    28   1     0.09  -0.07  -0.17    -0.07  -0.04   0.16    -0.08   0.04   0.14
    29   1     0.22  -0.07  -0.04    -0.16  -0.06   0.07    -0.17   0.03   0.06
    30   1    -0.06  -0.10  -0.22    -0.06   0.04  -0.07    -0.04  -0.08  -0.15
    31   1    -0.18  -0.18  -0.06    -0.10   0.04  -0.05    -0.12  -0.13  -0.06
    32   1     0.05   0.08   0.21     0.10   0.00   0.07     0.07   0.05   0.14
    33   1     0.10   0.21   0.08     0.14   0.05   0.00     0.09   0.13   0.06
    34   1     0.09  -0.03   0.05     0.01  -0.10   0.21    -0.05   0.08  -0.15
    35   1     0.11  -0.08  -0.00     0.02  -0.24   0.07    -0.04   0.17  -0.06
    36   1    -0.07  -0.03  -0.05    -0.02   0.11  -0.21     0.00  -0.09   0.15
    37   1    -0.10  -0.02  -0.04    -0.10   0.23  -0.06     0.07  -0.17   0.06
                      7                      8                      9
                      A                      A                      A
 Frequencies --    217.6300               219.9432               225.8217
 Red. masses --      2.8494                 2.8634                 2.9493
 Frc consts  --      0.0795                 0.0816                 0.0886
 IR Inten    --      3.9561                 3.8975                18.2078
 RamAct Fr= 1--      3.0814                 3.1131                 0.0459
  Dep-P Fr= 1--      0.7497                 0.7500                 0.7391
  Dep-U Fr= 1--      0.8569                 0.8571                 0.8500
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.4401                 0.4447                 0.0065
 AlphaG Fr= 1--      0.0000                -0.0000                 0.0000
 Gamma2 Fr= 1--      0.2606                 0.2713                -0.0021
 Delta2 Fr= 1--      0.2155                 0.2099                 0.0003
 Raman1 Fr= 1--      12.326                 12.453                  0.184
 ROA1   Fr= 1--      31.915                 32.761                 -0.193
 CID1   Fr= 1--       2.589                  2.631                 -1.052
 Raman2 Fr= 1--       5.281                  5.337                  0.078
 ROA2   Fr= 1--       4.531                  4.831                 -0.053
 CID2   Fr= 1--       0.858                  0.905                 -0.679
 Raman3 Fr= 1--      10.562                 10.673                  0.156
 ROA3   Fr= 1--      31.915                 32.761                 -0.193
 CID3   Fr= 1--       3.022                  3.069                 -1.238
 RC180  Fr= 1--       0.714                  0.714                  0.700
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03   0.01    -0.05  -0.09   0.00    -0.03  -0.01  -0.04
     2   6     0.01  -0.07   0.00     0.01  -0.08  -0.00    -0.03   0.01  -0.04
     3   7     0.14  -0.06  -0.11    -0.01  -0.07   0.03     0.09   0.04  -0.04
     4  45    -0.00  -0.00   0.01     0.00  -0.00  -0.01     0.00  -0.00   0.08
     5   7     0.12  -0.03  -0.11    -0.10  -0.05   0.03     0.06  -0.08  -0.04
     6   7    -0.06  -0.01   0.02    -0.08   0.12  -0.10     0.03   0.12  -0.06
     7   6    -0.07   0.01  -0.01    -0.08   0.01   0.01     0.01  -0.02  -0.04
     8   6    -0.08  -0.07  -0.00     0.02   0.02   0.01     0.01  -0.02  -0.04
     9   7    -0.05  -0.10   0.03    -0.03   0.10  -0.10    -0.09   0.08  -0.06
    10   7     0.01   0.07   0.07     0.13   0.07   0.08     0.00  -0.11  -0.04
    11   6    -0.02   0.01  -0.01     0.10  -0.03  -0.00     0.03   0.01  -0.04
    12   6    -0.05   0.09  -0.01     0.01  -0.02  -0.00     0.02   0.01  -0.04
    13   7     0.03   0.13   0.07     0.08   0.02   0.08    -0.10  -0.03  -0.04
    14   1    -0.07  -0.06   0.02     0.03  -0.05   0.09    -0.01  -0.12  -0.03
    15   1    -0.09  -0.10  -0.05     0.14   0.05   0.01     0.12   0.02  -0.03
    16   1    -0.08   0.03  -0.06    -0.03  -0.05   0.07     0.09  -0.09  -0.03
    17   1    -0.04   0.04   0.04    -0.20  -0.03   0.03    -0.10  -0.06  -0.04
    18   1    -0.07  -0.02  -0.08     0.04  -0.06  -0.02     0.12   0.04  -0.04
    19   1     0.04  -0.06   0.01     0.18  -0.09  -0.04    -0.04   0.07  -0.04
    20   1    -0.06   0.05  -0.03    -0.03  -0.09  -0.08     0.03   0.11  -0.04
    21   1    -0.10   0.16  -0.04    -0.09   0.04   0.02     0.09  -0.05  -0.03
    22   1    -0.06  -0.03   0.06     0.05  -0.09  -0.05    -0.09   0.07  -0.05
    23   1    -0.01  -0.21   0.02     0.04  -0.03   0.04    -0.04  -0.08  -0.04
    24   1    -0.07   0.02   0.08    -0.03  -0.07   0.02    -0.11  -0.04  -0.04
    25   1     0.04   0.17   0.01    -0.08  -0.12  -0.04    -0.02   0.07  -0.04
    26   1     0.09  -0.07  -0.29    -0.08  -0.04   0.10     0.03  -0.11  -0.16
    27   1     0.30  -0.07  -0.09    -0.16  -0.03   0.02     0.17  -0.16  -0.02
    28   1     0.12  -0.01  -0.29    -0.01  -0.09   0.08     0.08   0.08  -0.17
    29   1     0.32  -0.09  -0.09    -0.06  -0.07   0.02     0.23   0.07  -0.02
    30   1     0.03   0.10   0.20     0.10  -0.02   0.21    -0.12   0.01  -0.19
    31   1     0.11   0.23   0.06     0.17   0.13   0.07    -0.24  -0.10  -0.02
    32   1    -0.02   0.07   0.18     0.10   0.07   0.23     0.05  -0.12  -0.18
    33   1     0.09   0.14   0.06     0.22   0.18   0.07    -0.05  -0.25  -0.02
    34   1    -0.08  -0.01   0.05    -0.04   0.10  -0.26     0.08   0.11  -0.22
    35   1    -0.05  -0.03   0.02    -0.14   0.27  -0.08     0.03   0.29  -0.03
    36   1    -0.05  -0.09   0.08    -0.06   0.07  -0.25    -0.13   0.04  -0.22
    37   1    -0.04  -0.14   0.02    -0.08   0.25  -0.08    -0.20   0.22  -0.03
                     10                     11                     12
                      A                      A                      A
 Frequencies --    251.8832               289.5113               290.1385
 Red. masses --      4.9302                 2.0243                 2.0434
 Frc consts  --      0.1843                 0.1000                 0.1013
 IR Inten    --      0.0006                 1.4305                 1.5222
 RamAct Fr= 1--     15.8470                 0.8131                 0.8424
  Dep-P Fr= 1--      0.0647                 0.7469                 0.7497
  Dep-U Fr= 1--      0.1215                 0.8551                 0.8570
 Alpha2 Fr= 1--      0.3022                 0.0000                 0.0000
 Beta2  Fr= 1--      0.3209                 0.1159                 0.1203
 AlphaG Fr= 1--      0.3061                -0.0000                -0.0000
 Gamma2 Fr= 1--      6.0138                 0.4506                 0.4314
 Delta2 Fr= 1--      0.3488                -0.1811                -0.1818
 Raman1 Fr= 1--      63.388                  3.253                  3.370
 ROA1   Fr= 1--     588.486                 37.461                 35.597
 CID1   Fr= 1--       9.284                 11.518                 10.564
 Raman2 Fr= 1--       3.851                  1.391                  1.444
 ROA2   Fr= 1--     141.541                 12.263                 11.807
 CID2   Fr= 1--      36.752                  8.818                  8.178
 Raman3 Fr= 1--       7.702                  2.781                  2.888
 ROA3   Fr= 1--     588.486                 37.461                 35.597
 CID3   Fr= 1--      76.402                 13.469                 12.327
 RC180  Fr= 1--      -0.757                  0.710                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.18   0.00     0.06  -0.07  -0.00    -0.05   0.09   0.01
     2   6     0.03   0.18  -0.00    -0.07  -0.07   0.01     0.08   0.04  -0.00
     3   7    -0.04   0.14  -0.02     0.04  -0.03  -0.03    -0.05  -0.01  -0.01
     4  45    -0.00  -0.00  -0.00    -0.02   0.03  -0.00    -0.03  -0.02   0.00
     5   7     0.08   0.12   0.02    -0.04   0.03  -0.01     0.05   0.01  -0.03
     6   7    -0.15   0.01   0.02     0.03  -0.01   0.03     0.01  -0.06   0.00
     7   6    -0.18  -0.05   0.00     0.04   0.03  -0.01     0.05   0.12  -0.01
     8   6    -0.17  -0.07  -0.00     0.02  -0.03  -0.00     0.12  -0.05   0.01
     9   7    -0.11  -0.10  -0.02    -0.03   0.01   0.02    -0.02   0.06  -0.02
    10   7     0.14  -0.04  -0.02     0.04   0.06   0.01     0.03  -0.01   0.03
    11   6     0.14  -0.11  -0.00     0.00  -0.13  -0.01     0.02  -0.03  -0.01
    12   6     0.13  -0.13   0.00     0.13   0.01   0.01     0.02   0.02  -0.00
    13   7     0.06  -0.13   0.02    -0.04  -0.05  -0.02    -0.03   0.00   0.03
    14   1    -0.15  -0.01   0.02     0.01  -0.10   0.01     0.11  -0.26   0.13
    15   1    -0.20  -0.08  -0.01     0.08  -0.03  -0.04     0.33  -0.06  -0.11
    16   1    -0.12  -0.08  -0.02     0.01   0.08  -0.06    -0.09   0.27  -0.11
    17   1    -0.21  -0.06   0.01     0.09   0.08   0.03     0.21   0.25   0.12
    18   1     0.08  -0.13   0.02    -0.19  -0.22  -0.12    -0.00  -0.06  -0.05
    19   1     0.17  -0.14  -0.01     0.10  -0.31   0.12     0.05  -0.08   0.02
    20   1     0.13  -0.07  -0.02     0.20   0.20   0.13     0.03   0.07  -0.00
    21   1     0.16  -0.15   0.01     0.32  -0.07  -0.11     0.05   0.01  -0.03
    22   1     0.06   0.13   0.02    -0.19   0.01   0.10     0.21  -0.06  -0.07
    23   1     0.03   0.22  -0.01    -0.15  -0.19  -0.07     0.16   0.17   0.09
    24   1    -0.00   0.15  -0.02     0.21  -0.03  -0.07    -0.19   0.07   0.11
    25   1     0.06   0.21   0.01     0.08  -0.20   0.08    -0.07   0.24  -0.08
    26   1     0.08   0.11   0.00    -0.01   0.10   0.05     0.01  -0.04  -0.15
    27   1     0.10   0.11   0.02    -0.10   0.04  -0.02     0.16  -0.01  -0.02
    28   1    -0.03   0.13   0.01     0.02   0.02  -0.14    -0.05  -0.09   0.06
    29   1    -0.06   0.14  -0.02     0.14  -0.06  -0.02    -0.12   0.00  -0.02
    30   1     0.05  -0.12  -0.00    -0.08   0.03  -0.16    -0.06   0.03   0.04
    31   1     0.04  -0.15   0.02    -0.12  -0.15  -0.01    -0.03   0.01   0.03
    32   1     0.12  -0.03   0.01    -0.05   0.10   0.13     0.02  -0.02   0.09
    33   1     0.15  -0.02  -0.02     0.12   0.15  -0.00     0.07   0.03   0.02
    34   1    -0.13   0.01  -0.00     0.02   0.00   0.10    -0.09  -0.07   0.12
    35   1    -0.15   0.04   0.02     0.06  -0.07   0.02     0.05  -0.17  -0.01
    36   1    -0.09  -0.09   0.01    -0.08  -0.01   0.02    -0.09   0.01  -0.16
    37   1    -0.09  -0.12  -0.02    -0.04   0.02   0.02    -0.05   0.19  -0.01
                     13                     14                     15
                      A                      A                      A
 Frequencies --    311.9051               332.0750               332.8181
 Red. masses --      1.7074                 3.3015                 3.3205
 Frc consts  --      0.0979                 0.2145                 0.2167
 IR Inten    --      0.0010                 6.6984                 6.7156
 RamAct Fr= 1--      2.2083                 2.0648                 2.0554
  Dep-P Fr= 1--      0.3862                 0.7497                 0.7496
  Dep-U Fr= 1--      0.5573                 0.8569                 0.8569
 Alpha2 Fr= 1--      0.0172                 0.0000                 0.0000
 Beta2  Fr= 1--      0.2051                 0.2949                 0.2936
 AlphaG Fr= 1--     -0.0473                 0.0000                 0.0000
 Gamma2 Fr= 1--     -2.6572                -3.0463                -3.0414
 Delta2 Fr= 1--     -0.2539                -0.1775                -0.1770
 Raman1 Fr= 1--       8.833                  8.259                  8.222
 ROA1   Fr= 1--    -263.217               -298.121               -297.642
 CID1   Fr= 1--     -29.798                -36.096                -36.202
 Raman2 Fr= 1--       2.461                  3.539                  3.523
 ROA2   Fr= 1--     -61.742                -71.691                -71.578
 CID2   Fr= 1--     -25.086                -20.258                -20.320
 Raman3 Fr= 1--       4.922                  7.078                  7.045
 ROA3   Fr= 1--    -263.217               -298.121               -297.642
 CID3   Fr= 1--     -53.473                -42.122                -42.247
 RC180  Fr= 1--       0.115                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.03   0.00    -0.05  -0.05   0.01    -0.08  -0.06  -0.00
     2   6     0.07   0.00  -0.00     0.02   0.01   0.01     0.06  -0.11  -0.00
     3   7    -0.05  -0.03   0.05     0.00   0.02   0.09    -0.03  -0.11   0.05
     4  45     0.00  -0.00  -0.00     0.09   0.01   0.00    -0.01   0.09  -0.00
     5   7     0.03  -0.05  -0.05    -0.01  -0.08   0.04    -0.01  -0.08  -0.10
     6   7     0.02   0.05  -0.05    -0.10  -0.04   0.06     0.03   0.01   0.09
     7   6     0.01  -0.06   0.00    -0.12   0.05  -0.00     0.02   0.01   0.01
     8   6    -0.03   0.06  -0.00    -0.05  -0.10  -0.00    -0.05  -0.04   0.01
     9   7     0.05  -0.03   0.05    -0.08  -0.02  -0.09    -0.07  -0.02   0.05
    10   7    -0.00   0.06   0.05    -0.08   0.07   0.00     0.03  -0.03  -0.11
    11   6    -0.03  -0.06  -0.00    -0.11   0.01  -0.01     0.06   0.01  -0.00
    12   6     0.05   0.04   0.00     0.00   0.05  -0.01     0.03  -0.11  -0.01
    13   7    -0.06  -0.00  -0.05    -0.02   0.02  -0.10     0.09  -0.07   0.01
    14   1    -0.03   0.18  -0.09    -0.03  -0.19   0.13    -0.06  -0.07  -0.01
    15   1    -0.17   0.06   0.07     0.09  -0.11  -0.09    -0.04  -0.05  -0.01
    16   1     0.09  -0.16   0.09    -0.17   0.13  -0.11     0.03   0.03  -0.06
    17   1    -0.10  -0.15  -0.08    -0.02   0.13   0.09     0.05   0.03   0.03
    18   1    -0.15  -0.12  -0.10    -0.17  -0.02  -0.05     0.11   0.07   0.12
    19   1     0.04  -0.18   0.08    -0.08  -0.06   0.05     0.01   0.11  -0.07
    20   1     0.10   0.16   0.10     0.05   0.09   0.11    -0.00  -0.18  -0.06
    21   1     0.18  -0.01  -0.08     0.10   0.02  -0.07    -0.06  -0.09   0.06
    22   1     0.18  -0.07  -0.10     0.05   0.02  -0.08     0.15  -0.15  -0.11
    23   1     0.14   0.13   0.08     0.05   0.07   0.04     0.13  -0.01   0.09
    24   1    -0.20   0.01   0.10    -0.09  -0.07   0.00    -0.18  -0.05   0.13
    25   1    -0.08   0.17  -0.08    -0.06  -0.03  -0.02    -0.11   0.08  -0.09
    26   1    -0.00  -0.11  -0.17    -0.02  -0.13   0.09    -0.05  -0.12  -0.29
    27   1     0.17  -0.06  -0.03    -0.06  -0.07   0.04     0.18  -0.15  -0.07
    28   1    -0.04  -0.10   0.17     0.03   0.03   0.24    -0.02  -0.18   0.18
    29   1    -0.17   0.00   0.03    -0.16   0.03   0.07    -0.17  -0.10   0.04
    30   1    -0.09   0.06  -0.17    -0.02   0.05  -0.29     0.12  -0.12   0.06
    31   1    -0.14  -0.11  -0.03    -0.17  -0.11  -0.08     0.13  -0.03   0.00
    32   1    -0.07   0.08   0.17    -0.13   0.11   0.03     0.06  -0.02  -0.30
    33   1     0.09   0.15   0.04    -0.06   0.11  -0.00    -0.09  -0.20  -0.08
    34   1     0.09   0.05  -0.17    -0.18  -0.04   0.20     0.04   0.03   0.22
    35   1    -0.03   0.17  -0.03    -0.07  -0.19   0.04     0.06  -0.13   0.07
    36   1     0.10   0.02   0.17    -0.13  -0.07  -0.28    -0.11  -0.03   0.13
    37   1     0.08  -0.15   0.03    -0.18   0.16  -0.07    -0.04  -0.09   0.04
                     16                     17                     18
                      A                      A                      A
 Frequencies --    402.3115               403.0990               403.5553
 Red. masses --      4.0000                 4.4349                 4.1794
 Frc consts  --      0.3814                 0.4246                 0.4010
 IR Inten    --      0.4422                 0.3988                 0.3922
 RamAct Fr= 1--      2.8935                 1.8174                 2.4026
  Dep-P Fr= 1--      0.7500                 0.7485                 0.7499
  Dep-U Fr= 1--      0.8571                 0.8562                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.4134                 0.2593                 0.3432
 AlphaG Fr= 1--     -0.0000                 0.0001                 0.0000
 Gamma2 Fr= 1--      0.6059                 0.4028                 0.5061
 Delta2 Fr= 1--      0.1918                 0.1206                 0.1603
 Raman1 Fr= 1--      11.574                  7.270                  9.610
 ROA1   Fr= 1--      64.307                 42.527                 53.715
 CID1   Fr= 1--       5.556                  5.850                  5.589
 Raman2 Fr= 1--       4.960                  3.112                  4.118
 ROA2   Fr= 1--      13.008                  8.702                 10.864
 CID2   Fr= 1--       2.623                  2.796                  2.638
 Raman3 Fr= 1--       9.920                  6.224                  8.237
 ROA3   Fr= 1--      64.307                 42.527                 53.715
 CID3   Fr= 1--       6.482                  6.833                  6.521
 RC180  Fr= 1--       0.714                  0.712                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.07  -0.04     0.01   0.10  -0.08    -0.00  -0.05   0.04
     2   6    -0.01  -0.03  -0.04    -0.04  -0.12  -0.08     0.02   0.05   0.04
     3   7    -0.04  -0.05  -0.02    -0.14  -0.17  -0.11     0.05   0.06   0.03
     4  45     0.00  -0.07   0.04     0.05   0.03   0.07    -0.06   0.02   0.06
     5   7    -0.04   0.12  -0.07    -0.05   0.18  -0.09     0.02  -0.08   0.03
     6   7     0.08   0.08   0.05    -0.10  -0.11  -0.08    -0.10  -0.11  -0.07
     7   6     0.06   0.03   0.05    -0.07  -0.04  -0.05    -0.08  -0.03  -0.07
     8   6    -0.06  -0.01   0.05     0.05   0.02  -0.05     0.11   0.02  -0.07
     9   7    -0.09   0.01   0.04     0.10  -0.02  -0.04     0.19  -0.03  -0.10
    10   7    -0.07   0.19  -0.10     0.01  -0.02   0.01    -0.04   0.11  -0.05
    11   6    -0.08   0.09  -0.07     0.01  -0.02   0.02    -0.04   0.04  -0.05
    12   6     0.07  -0.06  -0.07    -0.03   0.02   0.02     0.08  -0.05  -0.05
    13   7     0.16  -0.04  -0.07    -0.04   0.01   0.02     0.16  -0.04  -0.08
    14   1    -0.09  -0.00  -0.04     0.09   0.05   0.04     0.17   0.07   0.09
    15   1    -0.09   0.00   0.09     0.05   0.01  -0.07     0.14   0.00  -0.12
    16   1     0.09   0.05  -0.05    -0.14  -0.03   0.06    -0.14  -0.04   0.06
    17   1     0.08   0.06   0.09    -0.08  -0.05  -0.08    -0.09  -0.06  -0.11
    18   1    -0.15   0.13   0.09    -0.00  -0.04  -0.02    -0.09   0.06   0.04
    19   1    -0.08   0.13  -0.13     0.02  -0.04   0.05    -0.04   0.06  -0.09
    20   1     0.12  -0.11   0.07    -0.05   0.00  -0.02     0.11  -0.11   0.07
    21   1     0.11  -0.05  -0.12    -0.06   0.02   0.05     0.10  -0.05  -0.09
    22   1    -0.00  -0.06   0.02    -0.03  -0.21   0.10     0.04   0.06  -0.04
    23   1    -0.02  -0.04  -0.06    -0.07  -0.13  -0.14     0.04   0.07   0.08
    24   1     0.03   0.11   0.06     0.05   0.17   0.08     0.01  -0.08  -0.04
    25   1    -0.01   0.08  -0.06    -0.01   0.13  -0.13     0.01  -0.08   0.08
    26   1    -0.02   0.16  -0.07    -0.03   0.21   0.01     0.00  -0.04  -0.19
    27   1    -0.04   0.14  -0.07    -0.15   0.17  -0.09     0.20  -0.19   0.06
    28   1    -0.04  -0.06   0.01    -0.14  -0.23  -0.04     0.01   0.02  -0.19
    29   1    -0.06  -0.00  -0.02    -0.23  -0.17  -0.12     0.26   0.09   0.06
    30   1     0.15  -0.06   0.06     0.01   0.00  -0.18     0.19  -0.08  -0.06
    31   1     0.23   0.06  -0.08    -0.22  -0.07   0.05     0.20  -0.02  -0.09
    32   1    -0.11   0.20   0.01    -0.01   0.03  -0.20    -0.06   0.11  -0.00
    33   1    -0.02   0.30  -0.12    -0.06  -0.20   0.03     0.02   0.11  -0.05
    34   1     0.06   0.05  -0.16    -0.16  -0.13  -0.10    -0.13  -0.10   0.02
    35   1     0.09   0.29   0.08    -0.10  -0.10  -0.08    -0.05  -0.18  -0.07
    36   1    -0.05  -0.00  -0.18     0.13  -0.01  -0.04     0.24  -0.00  -0.03
    37   1    -0.21   0.18   0.07     0.05  -0.04  -0.04     0.24  -0.10  -0.11
                     19                     20                     21
                      A                      A                      A
 Frequencies --    462.0651               462.7682               505.7485
 Red. masses --      4.0278                 4.0376                 4.5179
 Frc consts  --      0.5067                 0.5094                 0.6809
 IR Inten    --      7.5279                 7.5500                 0.0010
 RamAct Fr= 1--      4.7765                 4.8213                43.6122
  Dep-P Fr= 1--      0.7500                 0.7500                 0.0010
  Dep-U Fr= 1--      0.8571                 0.8571                 0.0021
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.9668
 Beta2  Fr= 1--      0.6824                 0.6887                 0.0149
 AlphaG Fr= 1--      0.0000                 0.0000                -0.7953
 Gamma2 Fr= 1--      1.5821                 1.5207                -0.6542
 Delta2 Fr= 1--      0.1530                 0.1547                 0.0674
 Raman1 Fr= 1--      19.106                 19.285                174.449
 ROA1   Fr= 1--     156.776                150.936                -60.651
 CID1   Fr= 1--       8.206                  7.827                 -0.348
 Raman2 Fr= 1--       8.188                  8.265                  0.179
 ROA2   Fr= 1--      36.747                 35.259                -16.241
 CID2   Fr= 1--       4.488                  4.266                -90.563
 Raman3 Fr= 1--      16.377                 16.529                  0.359
 ROA3   Fr= 1--     156.776                150.936                -60.651
 CID3   Fr= 1--       9.573                  9.131               -169.104
 RC180  Fr= 1--       0.714                  0.714                 -0.996
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.02   0.02    -0.03  -0.03   0.00     0.02   0.01   0.01
     2   6    -0.01   0.04   0.01     0.03  -0.01   0.01    -0.02   0.02  -0.01
     3   7    -0.05  -0.01  -0.09     0.16   0.08   0.18    -0.13  -0.06  -0.15
     4  45     0.03   0.01   0.00     0.01  -0.03   0.00     0.00  -0.00  -0.00
     5   7     0.08  -0.11   0.12    -0.09   0.08  -0.16     0.10  -0.11   0.15
     6   7    -0.05  -0.17  -0.20    -0.03  -0.05  -0.03     0.05   0.14   0.15
     7   6     0.03  -0.03  -0.01    -0.02  -0.01  -0.02    -0.02   0.01   0.01
     8   6     0.01   0.04   0.01     0.03   0.01  -0.02    -0.01  -0.02  -0.01
     9   7    -0.14   0.11   0.20     0.04  -0.01  -0.01     0.12  -0.08  -0.15
    10   7    -0.00   0.13  -0.11     0.02   0.13  -0.17     0.01   0.14  -0.15
    11   6     0.00   0.02  -0.02     0.04   0.00   0.00     0.02   0.01  -0.01
    12   6     0.02  -0.03  -0.01    -0.02  -0.03   0.01    -0.00  -0.03   0.01
    13   7    -0.03  -0.02   0.07    -0.18  -0.04   0.19    -0.14  -0.03   0.15
    14   1    -0.06  -0.10  -0.10     0.04   0.01   0.01     0.05   0.09   0.07
    15   1     0.04   0.06   0.03     0.03  -0.00  -0.04    -0.04  -0.04  -0.02
    16   1    -0.11   0.04   0.10    -0.04  -0.01   0.02     0.10  -0.05  -0.07
    17   1     0.07  -0.02  -0.03    -0.01  -0.02  -0.04    -0.07  -0.00   0.01
    18   1    -0.08   0.03   0.06    -0.09  -0.01   0.08    -0.11   0.00   0.07
    19   1     0.03   0.02  -0.04     0.07  -0.02  -0.01     0.06  -0.02  -0.02
    20   1     0.02   0.03  -0.03    -0.03   0.12  -0.10    -0.01   0.11  -0.07
    21   1     0.03  -0.04  -0.02     0.00  -0.06   0.04     0.04  -0.06   0.01
    22   1     0.04  -0.02   0.04    -0.04   0.11  -0.09     0.06  -0.09   0.07
    23   1    -0.00   0.06   0.02     0.03  -0.05   0.04    -0.01   0.06  -0.02
    24   1    -0.05  -0.08  -0.07     0.07   0.04   0.08    -0.09  -0.06  -0.07
    25   1     0.04   0.00   0.05    -0.04  -0.05  -0.01     0.03   0.06   0.01
    26   1     0.08  -0.16   0.19    -0.09   0.11  -0.25     0.10  -0.12   0.19
    27   1     0.01  -0.11   0.12     0.02   0.13  -0.16     0.01  -0.13   0.15
    28   1    -0.06  -0.01  -0.15     0.18   0.13   0.29    -0.14  -0.07  -0.19
    29   1    -0.00  -0.08  -0.09     0.05   0.14   0.17    -0.07  -0.12  -0.15
    30   1    -0.03  -0.03   0.12    -0.23  -0.00   0.30    -0.15  -0.03   0.20
    31   1    -0.04   0.05   0.08    -0.14   0.09   0.18    -0.12   0.06   0.15
    32   1    -0.03   0.16  -0.17     0.00   0.16  -0.27     0.00   0.15  -0.18
    33   1    -0.05   0.09  -0.10    -0.10   0.10  -0.17    -0.07   0.12  -0.15
    34   1    -0.09  -0.19  -0.32    -0.06  -0.06  -0.04     0.06   0.15   0.20
    35   1    -0.15  -0.07  -0.19    -0.02  -0.03  -0.02     0.11   0.08   0.15
    36   1    -0.20   0.10   0.32     0.07  -0.00  -0.01     0.13  -0.08  -0.18
    37   1    -0.17  -0.04   0.20     0.02  -0.02  -0.01     0.14  -0.00  -0.15
                     22                     23                     24
                      A                      A                      A
 Frequencies --    523.1981               558.3983               559.2010
 Red. masses --      1.5617                 1.8402                 1.8425
 Frc consts  --      0.2519                 0.3381                 0.3395
 IR Inten    --      3.2686                 3.4648                 3.3960
 RamAct Fr= 1--      0.0140                 0.2486                 0.2508
  Dep-P Fr= 1--      0.0037                 0.7435                 0.7453
  Dep-U Fr= 1--      0.0074                 0.8529                 0.8540
 Alpha2 Fr= 1--      0.0003                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0000                 0.0353                 0.0357
 AlphaG Fr= 1--     -0.0001                -0.0000                -0.0000
 Gamma2 Fr= 1--      0.0001                -0.6824                -0.6588
 Delta2 Fr= 1--      0.0000                -0.1461                -0.1362
 Raman1 Fr= 1--       0.056                  0.994                  1.003
 ROA1   Fr= 1--       0.008                -70.188                -67.600
 CID1   Fr= 1--       0.151                -70.593                -67.392
 Raman2 Fr= 1--       0.000                  0.424                  0.428
 ROA2   Fr= 1--       0.002                -15.209                -14.721
 CID2   Fr= 1--       7.464                -35.871                -34.368
 Raman3 Fr= 1--       0.000                  0.848                  0.857
 ROA3   Fr= 1--       0.008                -70.188                -67.600
 CID3   Fr= 1--      20.246                -82.770                -78.909
 RC180  Fr= 1--      -0.985                  0.706                  0.708
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.05  -0.05    -0.00  -0.01   0.02     0.02   0.06  -0.07
     2   6    -0.01  -0.05  -0.05    -0.00   0.03   0.02    -0.00  -0.06  -0.07
     3   7     0.04  -0.02   0.03    -0.03   0.00  -0.02     0.07  -0.00   0.07
     4  45     0.00   0.00  -0.00     0.00  -0.03  -0.00    -0.03  -0.00   0.00
     5   7     0.04   0.00   0.04    -0.02   0.01  -0.02     0.07  -0.03   0.08
     6   7    -0.02   0.03   0.03    -0.01   0.07   0.08     0.01  -0.02  -0.02
     7   6    -0.05  -0.02  -0.05    -0.06  -0.01  -0.07     0.02   0.00   0.01
     8   6     0.05   0.02  -0.05     0.06   0.03  -0.07    -0.01  -0.00   0.01
     9   7    -0.01   0.04   0.04    -0.03   0.06   0.08     0.01  -0.01  -0.01
    10   7    -0.03  -0.03   0.04     0.02   0.04  -0.05     0.03   0.05  -0.06
    11   6    -0.04   0.03  -0.05     0.03  -0.02   0.05     0.05  -0.03   0.05
    12   6     0.04  -0.03  -0.05    -0.03   0.04   0.05    -0.03   0.03   0.05
    13   7    -0.02  -0.04   0.03     0.04   0.03  -0.05     0.04   0.03  -0.06
    14   1     0.05  -0.13   0.07     0.05  -0.23   0.11    -0.01   0.05  -0.03
    15   1     0.19   0.00  -0.15     0.30   0.01  -0.23    -0.05   0.01   0.05
    16   1     0.04  -0.13   0.07     0.10  -0.21   0.11    -0.01   0.04  -0.02
    17   1    -0.15  -0.11  -0.15    -0.24  -0.18  -0.24     0.06   0.03   0.04
    18   1     0.09   0.11   0.07    -0.12  -0.11  -0.08    -0.13  -0.12  -0.08
    19   1    -0.10   0.16  -0.15     0.10  -0.17   0.16     0.13  -0.19   0.17
    20   1     0.10   0.10   0.07    -0.10  -0.13  -0.07    -0.10  -0.15  -0.09
    21   1     0.18  -0.08  -0.15    -0.19   0.09   0.16    -0.20   0.09   0.18
    22   1    -0.14   0.02   0.07     0.07  -0.02  -0.03    -0.22   0.07   0.11
    23   1    -0.09  -0.17  -0.14     0.04   0.09   0.07    -0.14  -0.25  -0.23
    24   1    -0.14   0.03   0.07     0.08  -0.00  -0.04    -0.23   0.02   0.11
    25   1    -0.02   0.19  -0.14     0.02  -0.09   0.08    -0.03   0.29  -0.23
    26   1     0.05  -0.04   0.22    -0.02   0.01  -0.09     0.09  -0.02   0.23
    27   1    -0.14   0.03   0.02     0.06   0.01  -0.02    -0.12  -0.05   0.07
    28   1     0.07   0.01   0.22    -0.03   0.01  -0.06     0.09  -0.01   0.23
    29   1    -0.14   0.03   0.02     0.01  -0.03  -0.02    -0.10   0.09   0.06
    30   1    -0.06  -0.03   0.22     0.04   0.05  -0.15     0.05   0.04  -0.19
    31   1     0.10   0.11   0.01    -0.01  -0.08  -0.05    -0.03  -0.11  -0.05
    32   1    -0.02  -0.07   0.23     0.03   0.05  -0.17     0.05   0.05  -0.17
    33   1     0.10   0.11   0.02    -0.10  -0.04  -0.04    -0.09  -0.02  -0.05
    34   1     0.01   0.07   0.22    -0.02   0.09   0.24     0.01  -0.02  -0.04
    35   1     0.05  -0.14   0.02     0.11  -0.09   0.07    -0.02  -0.00  -0.02
    36   1    -0.05   0.05   0.22    -0.03   0.09   0.23     0.01  -0.01  -0.06
    37   1     0.04  -0.14   0.02    -0.03  -0.13   0.07    -0.00   0.05  -0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --    676.1695               676.4235               713.9514
 Red. masses --      1.2961                 1.2962                 1.2647
 Frc consts  --      0.3491                 0.3494                 0.3798
 IR Inten    --      0.1365                 0.1366                 0.0008
 RamAct Fr= 1--      0.0791                 0.0752                 2.5736
  Dep-P Fr= 1--      0.7490                 0.7495                 0.1726
  Dep-U Fr= 1--      0.8565                 0.8568                 0.2943
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0376
 Beta2  Fr= 1--      0.0113                 0.0107                 0.1262
 AlphaG Fr= 1--      0.0000                 0.0000                 0.3067
 Gamma2 Fr= 1--     -0.5281                -0.5121                -4.0830
 Delta2 Fr= 1--      0.0992                 0.0975                -0.1479
 Raman1 Fr= 1--       0.316                  0.301                 10.295
 ROA1   Fr= 1--     -47.521                -46.045               -396.700
 CID1   Fr= 1--    -150.251               -153.131                -38.535
 Raman2 Fr= 1--       0.135                  0.129                  1.515
 ROA2   Fr= 1--     -13.467                -13.071                -96.809
 CID2   Fr= 1--     -99.432               -101.468                -63.900
 Raman3 Fr= 1--       0.271                  0.258                  3.030
 ROA3   Fr= 1--     -47.521                -46.045               -396.700
 CID3   Fr= 1--    -175.429               -178.722               -130.925
 RC180  Fr= 1--       0.713                  0.714                 -0.411
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.02    -0.00  -0.01  -0.00     0.00  -0.01  -0.01
     2   6    -0.00  -0.01  -0.01    -0.00  -0.01   0.02    -0.00  -0.00   0.01
     3   7    -0.03  -0.01   0.05    -0.03   0.01   0.05    -0.04   0.00   0.05
     4  45     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   7     0.00   0.01   0.00     0.04  -0.02  -0.07     0.03  -0.01  -0.04
     6   7     0.00   0.04  -0.06     0.01  -0.02   0.03    -0.00   0.03  -0.04
     7   6     0.01   0.01   0.01    -0.01  -0.00   0.02     0.00   0.01  -0.01
     8   6     0.00   0.00   0.02    -0.01  -0.00   0.00     0.00  -0.00   0.01
     9   7    -0.00  -0.01   0.02    -0.03   0.04  -0.07     0.02  -0.03   0.04
    10   7    -0.02  -0.04  -0.07    -0.00   0.02   0.02     0.02   0.03   0.04
    11   6     0.01  -0.01  -0.01    -0.00   0.01  -0.02     0.00   0.01   0.01
    12   6     0.01  -0.01   0.01     0.01  -0.00  -0.02    -0.01   0.00  -0.01
    13   7     0.03   0.03   0.06     0.03   0.01   0.04    -0.03  -0.02  -0.05
    14   1    -0.01   0.03  -0.04    -0.01  -0.07   0.05     0.00   0.06  -0.04
    15   1    -0.06   0.00   0.05     0.08   0.02  -0.00    -0.08  -0.02   0.03
    16   1     0.05  -0.03   0.04    -0.02   0.04  -0.05     0.04  -0.05   0.04
    17   1    -0.06  -0.02   0.01     0.06   0.04   0.05    -0.08  -0.03  -0.03
    18   1     0.07   0.03   0.06    -0.01   0.01   0.01    -0.06  -0.03  -0.04
    19   1    -0.06   0.07  -0.03     0.00   0.02  -0.04     0.06  -0.07   0.03
    20   1    -0.02  -0.06  -0.06     0.01  -0.03  -0.01     0.02   0.06   0.04
    21   1    -0.08   0.05   0.03    -0.01   0.02  -0.03     0.07  -0.05  -0.02
    22   1     0.02  -0.03  -0.03     0.05  -0.03  -0.05     0.05  -0.04  -0.04
    23   1     0.00   0.04  -0.02     0.03   0.08   0.04     0.02   0.09   0.03
    24   1    -0.02   0.01   0.02    -0.07  -0.02   0.06    -0.06  -0.01   0.04
    25   1    -0.01   0.03  -0.05     0.01   0.09  -0.02     0.01   0.09  -0.03
    26   1     0.00   0.02  -0.02     0.07  -0.12   0.34     0.06  -0.06   0.25
    27   1     0.00  -0.04   0.01    -0.29   0.25  -0.13    -0.23   0.15  -0.09
    28   1    -0.08  -0.07  -0.25    -0.08  -0.05  -0.24    -0.08  -0.03  -0.25
    29   1     0.26   0.11   0.10     0.25   0.07   0.09     0.27   0.05   0.09
    30   1     0.11   0.01  -0.29     0.08  -0.01  -0.19    -0.08  -0.02   0.25
    31   1    -0.29  -0.11   0.11    -0.22  -0.05   0.08     0.24   0.12  -0.09
    32   1     0.01  -0.13   0.33    -0.01   0.04  -0.09     0.01   0.08  -0.25
    33   1     0.08   0.36  -0.13     0.01  -0.11   0.04    -0.09  -0.25   0.09
    34   1     0.06   0.11   0.31    -0.02  -0.05  -0.16     0.02   0.08   0.24
    35   1    -0.08  -0.34  -0.12     0.01   0.17   0.06    -0.02  -0.26  -0.09
    36   1     0.02  -0.02  -0.09    -0.12   0.05   0.34     0.07  -0.05  -0.24
    37   1    -0.05   0.08   0.03     0.29  -0.24  -0.13    -0.18   0.20   0.09
                     28                     29                     30
                      A                      A                      A
 Frequencies --    750.4186               750.5760               762.8613
 Red. masses --      1.3993                 1.4003                 1.4761
 Frc consts  --      0.4643                 0.4648                 0.5061
 IR Inten    --      5.4075                 5.3568                17.8416
 RamAct Fr= 1--      0.6068                 0.6164                 0.0006
  Dep-P Fr= 1--      0.7495                 0.7492                 0.7049
  Dep-U Fr= 1--      0.8568                 0.8566                 0.8269
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0866                 0.0880                 0.0001
 AlphaG Fr= 1--      0.0000                 0.0001                 0.0000
 Gamma2 Fr= 1--      3.1830                 3.2040                 0.0028
 Delta2 Fr= 1--     -0.0190                -0.0244                -0.0003
 Raman1 Fr= 1--       2.427                  2.465                  0.003
 ROA1   Fr= 1--     304.963                306.798                  0.258
 CID1   Fr= 1--     125.652                124.437                103.021
 Raman2 Fr= 1--       1.040                  1.056                  0.001
 ROA2   Fr= 1--      76.545                 77.090                  0.069
 CID2   Fr= 1--      73.615                 73.005                 66.537
 Raman3 Fr= 1--       2.080                  2.112                  0.002
 ROA3   Fr= 1--     304.963                306.798                  0.258
 CID3   Fr= 1--     146.645                145.269                124.591
 RC180  Fr= 1--       0.714                  0.713                  0.654
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.02     0.01  -0.00  -0.02    -0.03  -0.01   0.02
     2   6     0.01  -0.01  -0.03    -0.00  -0.02  -0.01    -0.02   0.02   0.02
     3   7    -0.02  -0.01   0.04    -0.05  -0.01   0.05     0.03  -0.01  -0.06
     4  45     0.01  -0.01   0.00     0.01   0.01  -0.00    -0.00   0.00   0.02
     5   7    -0.04   0.04   0.07     0.00   0.01   0.01     0.03  -0.00  -0.06
     6   7     0.01   0.03  -0.04    -0.00  -0.05   0.06    -0.02   0.03  -0.06
     7   6     0.01  -0.00   0.03    -0.02  -0.01  -0.01     0.02  -0.02   0.02
     8   6    -0.02  -0.01   0.02    -0.00   0.01  -0.02    -0.01  -0.03   0.02
     9   7    -0.04   0.04  -0.07     0.01   0.01   0.01    -0.00   0.03  -0.05
    10   7     0.01   0.03   0.02    -0.01  -0.05  -0.06    -0.02  -0.02  -0.06
    11   6    -0.01   0.01   0.01     0.02  -0.01   0.03     0.03   0.01   0.02
    12   6    -0.01   0.01  -0.00    -0.01   0.02   0.03     0.00   0.03   0.02
    13   7    -0.02  -0.02  -0.03    -0.05  -0.01  -0.06    -0.02  -0.03  -0.06
    14   1    -0.04  -0.03  -0.01     0.01  -0.04   0.05    -0.02   0.05  -0.08
    15   1     0.01   0.04   0.10     0.06  -0.01  -0.08    -0.07   0.02   0.14
    16   1     0.01   0.03  -0.05    -0.06   0.02  -0.02    -0.02   0.05  -0.08
    17   1     0.02   0.05   0.12     0.05   0.00  -0.04     0.04   0.06   0.14
    18   1    -0.05  -0.02  -0.04     0.03  -0.03  -0.03    -0.03  -0.04  -0.07
    19   1     0.04  -0.05   0.02    -0.02  -0.03   0.12     0.01  -0.07   0.15
    20   1     0.01   0.05   0.04    -0.03   0.02  -0.03    -0.04  -0.04  -0.08
    21   1     0.05  -0.03  -0.02    -0.03  -0.02   0.12    -0.07   0.01   0.15
    22   1    -0.03  -0.02   0.05     0.03  -0.05  -0.02     0.06  -0.01  -0.08
    23   1    -0.04  -0.03  -0.11    -0.00   0.05  -0.05     0.06   0.05   0.15
    24   1     0.03   0.04   0.01    -0.04   0.00   0.05     0.05  -0.01  -0.08
    25   1    -0.03  -0.02  -0.09    -0.02   0.06  -0.08     0.03  -0.06   0.15
    26   1    -0.08   0.11  -0.32     0.01   0.03  -0.02     0.04  -0.11   0.22
    27   1     0.27  -0.26   0.14     0.02  -0.05   0.02    -0.18   0.18  -0.10
    28   1    -0.06  -0.06  -0.16    -0.10  -0.05  -0.27     0.08   0.09   0.21
    29   1     0.20   0.10   0.08     0.30   0.11   0.11    -0.22  -0.10  -0.10
    30   1    -0.05  -0.03   0.16    -0.12   0.00   0.28    -0.11   0.02   0.21
    31   1     0.15   0.06  -0.06     0.34   0.08  -0.13     0.23   0.06  -0.10
    32   1     0.02   0.05  -0.15     0.02  -0.13   0.29     0.03  -0.11   0.22
    33   1    -0.04  -0.15   0.05     0.04   0.36  -0.13     0.03   0.25  -0.10
    34   1     0.06   0.07   0.18    -0.03  -0.10  -0.28     0.07   0.08   0.21
    35   1    -0.08  -0.22  -0.09     0.07   0.31   0.12    -0.06  -0.22  -0.10
    36   1    -0.12   0.06   0.33     0.03   0.01  -0.01    -0.11   0.02   0.20
    37   1     0.31  -0.24  -0.14    -0.04   0.00   0.02     0.18  -0.14  -0.10
                     31                     32                     33
                      A                      A                      A
 Frequencies --    865.5689               865.6170               867.4004
 Red. masses --      3.2256                 3.2250                 3.1378
 Frc consts  --      1.4239                 1.4237                 1.3910
 IR Inten    --     10.9253                10.9127                 0.0045
 RamAct Fr= 1--      0.9043                 0.9406                 9.7371
  Dep-P Fr= 1--      0.7488                 0.7491                 0.0593
  Dep-U Fr= 1--      0.8564                 0.8566                 0.1119
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.1881
 Beta2  Fr= 1--      0.1291                 0.1343                 0.1816
 AlphaG Fr= 1--      0.0000                -0.0000                -0.0750
 Gamma2 Fr= 1--      0.5995                 0.5877                -1.0647
 Delta2 Fr= 1--      0.7042                 0.7050                -2.7170
 Raman1 Fr= 1--       3.617                  3.762                 38.948
 ROA1   Fr= 1--      80.084                 78.976               -189.152
 CID1   Fr= 1--      22.139                 20.990                 -4.856
 Raman2 Fr= 1--       1.549                  1.611                  2.179
 ROA2   Fr= 1--       8.754                  8.464                 -3.816
 CID2   Fr= 1--       5.652                  5.253                 -1.751
 Raman3 Fr= 1--       3.098                  3.223                  4.359
 ROA3   Fr= 1--      80.084                 78.976               -189.152
 CID3   Fr= 1--      25.852                 24.506                -43.398
 RC180  Fr= 1--       0.713                  0.713                 -0.776
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.06   0.05     0.04   0.13  -0.12    -0.03  -0.11   0.09
     2   6    -0.02  -0.06  -0.06     0.00   0.15   0.11    -0.01  -0.11  -0.09
     3   7    -0.01   0.04  -0.01     0.04  -0.12   0.06    -0.03   0.09  -0.03
     4  45     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     5   7     0.05   0.06   0.04    -0.07  -0.09  -0.05     0.06   0.07   0.03
     6   7    -0.06   0.01   0.02    -0.12   0.02   0.06    -0.10   0.02   0.04
     7   6     0.08   0.02   0.08     0.13   0.01   0.10     0.11   0.02   0.09
     8   6     0.08   0.05  -0.06     0.12   0.05  -0.11     0.10   0.05  -0.09
     9   7    -0.06  -0.06  -0.04    -0.07  -0.07  -0.04    -0.07  -0.07  -0.03
    10   7    -0.13   0.03   0.06     0.03  -0.00  -0.01     0.09  -0.02  -0.03
    11   6     0.13  -0.09   0.13    -0.02  -0.00   0.00    -0.09   0.06  -0.09
    12   6     0.10  -0.13  -0.13    -0.01  -0.01   0.02    -0.07   0.08   0.08
    13   7    -0.05   0.13  -0.06     0.00   0.01  -0.01     0.04  -0.09   0.04
    14   1     0.03   0.03  -0.18     0.04   0.07  -0.36     0.04   0.07  -0.30
    15   1    -0.00   0.03  -0.05    -0.05   0.04  -0.03    -0.05   0.03  -0.03
    16   1     0.05  -0.02   0.25     0.06  -0.01   0.29     0.07  -0.03   0.28
    17   1    -0.01  -0.05   0.01     0.02  -0.04   0.07    -0.01  -0.05   0.04
    18   1     0.09  -0.01   0.41     0.01   0.01   0.02    -0.08   0.00  -0.29
    19   1     0.03   0.07   0.05    -0.02   0.02  -0.03    -0.00  -0.06  -0.03
    20   1     0.03  -0.08  -0.38     0.01   0.02   0.07    -0.01   0.07   0.27
    21   1    -0.05  -0.04  -0.07     0.03  -0.01  -0.02     0.05   0.02   0.04
    22   1     0.03  -0.04  -0.21    -0.02   0.07   0.33     0.04  -0.07  -0.28
    23   1     0.04   0.02   0.00    -0.06   0.01   0.06     0.05   0.02  -0.04
    24   1    -0.01  -0.03   0.12     0.06   0.06  -0.37    -0.06  -0.05   0.29
    25   1    -0.03  -0.01   0.05     0.05  -0.04  -0.04    -0.04   0.04   0.03
    26   1     0.04   0.04  -0.01    -0.06  -0.09   0.02     0.06   0.08   0.01
    27   1     0.10   0.08   0.04    -0.16  -0.19  -0.04     0.11   0.15   0.03
    28   1    -0.00   0.05   0.00     0.03  -0.11  -0.02    -0.02   0.09  -0.01
    29   1    -0.02   0.11  -0.01     0.10  -0.24   0.06    -0.05   0.18  -0.03
    30   1    -0.05   0.11   0.02     0.01  -0.00   0.00     0.04  -0.09   0.01
    31   1    -0.08   0.27  -0.06     0.02  -0.00  -0.01     0.07  -0.17   0.03
    32   1    -0.11   0.04  -0.02     0.01   0.00   0.01     0.09  -0.03  -0.01
    33   1    -0.28   0.05   0.05     0.03   0.02  -0.02     0.17  -0.05  -0.03
    34   1    -0.06   0.00  -0.01    -0.10   0.01  -0.02    -0.10   0.01   0.01
    35   1    -0.15   0.02   0.02    -0.23   0.07   0.06    -0.19   0.03   0.03
    36   1    -0.05  -0.05   0.02    -0.08  -0.06   0.02    -0.07  -0.07  -0.01
    37   1    -0.09  -0.14  -0.04    -0.15  -0.16  -0.04    -0.14  -0.13  -0.03
                     34                     35                     36
                      A                      A                      A
 Frequencies --    870.7715               872.6946               872.8134
 Red. masses --      2.6872                 2.4828                 2.4837
 Frc consts  --      1.2005                 1.1141                 1.1148
 IR Inten    --      5.7806                 0.1139                 0.1372
 RamAct Fr= 1--      0.0172                 2.4955                 2.5419
  Dep-P Fr= 1--      0.5049                 0.7496                 0.7483
  Dep-U Fr= 1--      0.6710                 0.8569                 0.8560
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0001
 Beta2  Fr= 1--      0.0019                 0.3564                 0.3627
 AlphaG Fr= 1--     -0.0000                 0.0000                -0.0001
 Gamma2 Fr= 1--     -0.0035                -1.1302                -1.0690
 Delta2 Fr= 1--     -0.0021                -0.4634                -0.4348
 Raman1 Fr= 1--       0.069                  9.982                 10.168
 ROA1   Fr= 1--      -0.399               -123.331               -116.536
 CID1   Fr= 1--      -5.811                -12.356                -11.461
 Raman2 Fr= 1--       0.023                  4.277                  4.352
 ROA2   Fr= 1--      -0.066                -23.418                -22.178
 CID2   Fr= 1--      -2.872                 -5.476                 -5.096
 Raman3 Fr= 1--       0.046                  8.553                  8.704
 ROA3   Fr= 1--      -0.399               -123.331               -116.536
 CID3   Fr= 1--      -8.660                -14.419                -13.389
 RC180  Fr= 1--       0.342                  0.714                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07  -0.01   0.05    -0.03  -0.01  -0.00     0.12  -0.02   0.07
     2   6     0.07  -0.02   0.05    -0.03  -0.01  -0.03     0.11  -0.03   0.06
     3   7    -0.03   0.08  -0.06     0.01  -0.02   0.01    -0.07   0.13  -0.06
     4  45    -0.00   0.00   0.01    -0.00  -0.01   0.00     0.01  -0.00   0.00
     5   7    -0.06  -0.06  -0.06     0.04   0.03   0.01    -0.11  -0.08  -0.06
     6   7     0.10  -0.03  -0.07    -0.08   0.03   0.04    -0.09   0.04   0.03
     7   6    -0.03   0.08   0.06     0.02  -0.08  -0.05     0.04  -0.07  -0.04
     8   6    -0.02   0.09   0.06     0.01  -0.08  -0.03     0.03  -0.07  -0.05
     9   7    -0.07  -0.08  -0.07     0.05   0.09   0.04     0.04   0.07   0.04
    10   7     0.10  -0.02  -0.06     0.14  -0.00  -0.06    -0.04  -0.00   0.01
    11   6    -0.06  -0.06   0.05    -0.08  -0.08   0.06     0.03   0.00   0.00
    12   6    -0.05  -0.06   0.06    -0.07  -0.09   0.06     0.03   0.01  -0.02
    13   7    -0.03   0.09  -0.06    -0.02   0.14  -0.05     0.00  -0.01   0.01
    14   1    -0.00  -0.11   0.27    -0.01   0.08  -0.22     0.00   0.10  -0.28
    15   1     0.16   0.02  -0.15    -0.12   0.00   0.18    -0.15  -0.00   0.18
    16   1     0.07  -0.08   0.29    -0.07   0.08  -0.30    -0.04   0.06  -0.22
    17   1    -0.14  -0.08  -0.15     0.12   0.09   0.18     0.09   0.07   0.18
    18   1     0.08   0.04   0.25     0.11   0.07   0.37     0.00  -0.01  -0.02
    19   1    -0.09   0.11  -0.14    -0.10   0.17  -0.25     0.00  -0.01   0.06
    20   1     0.03   0.10   0.27     0.05   0.12   0.36    -0.01  -0.05  -0.13
    21   1     0.13  -0.08  -0.14     0.17  -0.07  -0.25    -0.06   0.03   0.05
    22   1    -0.07   0.05   0.23     0.04  -0.03  -0.15    -0.11   0.06   0.36
    23   1    -0.05  -0.13  -0.12     0.03   0.07   0.06    -0.10  -0.17  -0.26
    24   1    -0.09  -0.02   0.23     0.01  -0.01  -0.04    -0.14  -0.02   0.39
    25   1     0.00   0.13  -0.12     0.01  -0.02   0.07    -0.02   0.20  -0.26
    26   1    -0.03  -0.00   0.03     0.04   0.01   0.04    -0.07   0.04  -0.08
    27   1    -0.12   0.04  -0.08     0.02   0.03   0.01    -0.07   0.00  -0.07
    28   1    -0.02   0.01   0.03     0.01   0.03   0.01    -0.09   0.00  -0.09
    29   1    -0.13   0.01  -0.08     0.02   0.02   0.02    -0.06   0.03  -0.07
    30   1     0.02   0.02   0.02     0.07   0.05  -0.09    -0.02   0.02   0.01
    31   1     0.10   0.08  -0.09     0.03   0.06  -0.06    -0.02   0.01   0.01
    32   1     0.03   0.02   0.02     0.04   0.07  -0.09    -0.04  -0.01   0.04
    33   1     0.08   0.11  -0.09     0.05   0.04  -0.07    -0.03   0.02   0.01
    34   1     0.01  -0.03   0.01     0.02   0.06   0.05    -0.02   0.06   0.08
    35   1     0.02  -0.13  -0.09    -0.01   0.04   0.05    -0.03   0.02   0.04
    36   1     0.01  -0.04   0.02    -0.02   0.07   0.07    -0.04   0.04   0.06
    37   1     0.06  -0.13  -0.09     0.02   0.05   0.04    -0.01   0.04   0.04
                     37                     38                     39
                      A                      A                      A
 Frequencies --    982.2636               983.2499               983.4669
 Red. masses --      2.1967                 2.2058                 2.2003
 Frc consts  --      1.2488                 1.2565                 1.2539
 IR Inten    --      3.4569                 3.4396                 3.7059
 RamAct Fr= 1--      0.0359                 4.0623                 4.1328
  Dep-P Fr= 1--      0.7486                 0.7500                 0.7500
  Dep-U Fr= 1--      0.8562                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0051                 0.5803                 0.5904
 AlphaG Fr= 1--     -0.0000                -0.0000                -0.0000
 Gamma2 Fr= 1--      0.0037                 0.6627                 0.6873
 Delta2 Fr= 1--      0.0076                 1.0321                 1.0334
 Raman1 Fr= 1--       0.144                 16.249                 16.531
 ROA1   Fr= 1--       0.599                 96.646                 99.053
 CID1   Fr= 1--       4.169                  5.948                  5.992
 Raman2 Fr= 1--       0.061                  6.964                  7.085
 ROA2   Fr= 1--       0.029                  7.649                  8.228
 CID2   Fr= 1--       0.467                  1.098                  1.161
 Raman3 Fr= 1--       0.123                 13.927                 14.169
 ROA3   Fr= 1--       0.599                 96.646                 99.053
 CID3   Fr= 1--       4.869                  6.939                  6.991
 RC180  Fr= 1--       0.712                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.10   0.00     0.02   0.10   0.01    -0.04  -0.14   0.00
     2   6     0.02   0.11   0.00    -0.01  -0.10  -0.01     0.03   0.15  -0.00
     3   7     0.00  -0.05  -0.00    -0.00   0.05  -0.00     0.00  -0.07   0.00
     4  45    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     5   7     0.02   0.04  -0.00    -0.02  -0.04  -0.00     0.03   0.06   0.00
     6   7    -0.06  -0.00   0.00    -0.08  -0.01   0.00    -0.00  -0.00   0.00
     7   6     0.13   0.04   0.00     0.15   0.05  -0.00     0.01   0.01  -0.01
     8   6    -0.12  -0.05   0.00    -0.15  -0.06   0.00    -0.00  -0.01   0.01
     9   7     0.05   0.03   0.00     0.06   0.04   0.00     0.00   0.00   0.00
    10   7    -0.05   0.02  -0.00     0.04  -0.02  -0.00     0.06  -0.03  -0.00
    11   6     0.09  -0.08   0.00    -0.07   0.06   0.01    -0.11   0.09  -0.00
    12   6    -0.09   0.08   0.00     0.06  -0.06  -0.01     0.11  -0.09   0.00
    13   7     0.03  -0.04  -0.00    -0.03   0.04  -0.00    -0.04   0.06  -0.00
    14   1    -0.15  -0.24   0.09    -0.17  -0.29   0.10    -0.00   0.01  -0.01
    15   1     0.10  -0.07  -0.16     0.11  -0.09  -0.20    -0.03  -0.02   0.00
    16   1     0.27  -0.11   0.09     0.32  -0.12   0.11     0.04  -0.03   0.02
    17   1    -0.04  -0.12  -0.16    -0.04  -0.14  -0.21    -0.04  -0.02  -0.03
    18   1     0.26  -0.00   0.08    -0.21  -0.00  -0.07    -0.29   0.01  -0.08
    19   1     0.01   0.11  -0.14     0.01  -0.10   0.13    -0.04  -0.12   0.17
    20   1    -0.04   0.26   0.09     0.03  -0.17  -0.05     0.04  -0.32  -0.10
    21   1     0.11   0.02  -0.15    -0.06  -0.04   0.10    -0.15  -0.02   0.19
    22   1    -0.12   0.20   0.08     0.08  -0.17  -0.05    -0.16   0.29   0.10
    23   1    -0.09  -0.05  -0.13     0.08   0.00   0.11    -0.13  -0.07  -0.20
    24   1    -0.18  -0.14   0.07     0.19   0.14  -0.08    -0.23  -0.19   0.09
    25   1    -0.07   0.07  -0.13     0.06  -0.10   0.14    -0.10   0.08  -0.18
    26   1     0.04   0.09  -0.01    -0.04  -0.13   0.02     0.04   0.11  -0.04
    27   1     0.05   0.14  -0.01    -0.04  -0.09   0.00     0.10   0.19  -0.01
    28   1    -0.00  -0.11  -0.01     0.00   0.06   0.02    -0.01  -0.17  -0.04
    29   1    -0.01  -0.14  -0.01    -0.01   0.16   0.01     0.01  -0.18  -0.01
    30   1     0.08  -0.10  -0.01    -0.03   0.04   0.02    -0.11   0.13   0.04
    31   1     0.10  -0.12  -0.01    -0.08   0.12   0.01    -0.09   0.14   0.01
    32   1    -0.10   0.06  -0.01     0.10  -0.07   0.02     0.09  -0.06   0.04
    33   1    -0.14   0.09  -0.01     0.08  -0.04   0.00     0.19  -0.09   0.01
    34   1    -0.13  -0.02  -0.02    -0.16  -0.03  -0.04    -0.06  -0.01  -0.00
    35   1    -0.17  -0.03  -0.01    -0.21  -0.01  -0.01     0.02  -0.00   0.00
    36   1     0.11   0.06  -0.01     0.13   0.07  -0.04    -0.04  -0.02  -0.00
    37   1     0.16   0.08  -0.01     0.18   0.12  -0.01     0.04   0.03  -0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --    996.8252               997.2795              1009.6920
 Red. masses --      1.2460                 1.2452                 1.2697
 Frc consts  --      0.7295                 0.7297                 0.7626
 IR Inten    --      9.0990                 9.4826                 0.0002
 RamAct Fr= 1--      0.1062                 0.1117                 1.3126
  Dep-P Fr= 1--      0.7484                 0.7433                 0.1035
  Dep-U Fr= 1--      0.8561                 0.8528                 0.1875
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0228
 Beta2  Fr= 1--      0.0152                 0.0159                 0.0410
 AlphaG Fr= 1--     -0.0000                 0.0000                -0.2504
 Gamma2 Fr= 1--      0.8326                 0.8939                -1.3953
 Delta2 Fr= 1--      0.1270                 0.1334                 0.3280
 Raman1 Fr= 1--       0.425                  0.447                  5.250
 ROA1   Fr= 1--      83.999                 90.085               -123.456
 CID1   Fr= 1--     197.744                201.699                -23.514
 Raman2 Fr= 1--       0.182                  0.190                  0.492
 ROA2   Fr= 1--      18.967                 20.386                -36.112
 CID2   Fr= 1--     104.309                107.050                -73.353
 Raman3 Fr= 1--       0.364                  0.381                  0.985
 ROA3   Fr= 1--      83.999                 90.085               -123.456
 CID3   Fr= 1--     230.976                236.523               -125.384
 RC180  Fr= 1--       0.712                  0.706                 -0.625
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.03  -0.02     0.05  -0.02  -0.03     0.05  -0.02  -0.03
     2   6    -0.04   0.01   0.02    -0.06  -0.01   0.03    -0.05  -0.00   0.03
     3   7     0.01  -0.00  -0.01     0.01  -0.00   0.00     0.02  -0.00  -0.00
     4  45    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   7    -0.01   0.00  -0.00    -0.01  -0.00   0.00    -0.02   0.00   0.00
     6   7    -0.01   0.02  -0.00     0.00  -0.00  -0.00     0.01  -0.01   0.00
     7   6     0.01  -0.07   0.04     0.01   0.02  -0.00    -0.00   0.05  -0.03
     8   6    -0.05   0.06  -0.03    -0.00  -0.01   0.01     0.03  -0.04   0.03
     9   7     0.00  -0.02   0.00    -0.00   0.00  -0.01    -0.00   0.02  -0.00
    10   7    -0.00  -0.00   0.00     0.01   0.01   0.00    -0.01  -0.01  -0.00
    11   6     0.00   0.03   0.01    -0.03  -0.06  -0.03     0.02   0.05   0.03
    12   6    -0.01  -0.02  -0.01     0.06   0.04   0.03    -0.04  -0.03  -0.03
    13   7     0.00   0.01   0.01    -0.01  -0.01   0.00     0.01   0.01   0.00
    14   1    -0.05  -0.20   0.15    -0.01   0.00  -0.01     0.03   0.14  -0.10
    15   1     0.27   0.11  -0.11    -0.03  -0.02   0.01    -0.18  -0.08   0.08
    16   1    -0.14   0.12  -0.14     0.06  -0.04   0.04     0.11  -0.09   0.10
    17   1     0.28   0.07   0.10    -0.06  -0.02  -0.03    -0.19  -0.05  -0.08
    18   1    -0.10  -0.02  -0.06     0.17   0.05   0.14    -0.14  -0.04  -0.10
    19   1     0.08  -0.07   0.05    -0.22   0.17  -0.10     0.16  -0.12   0.08
    20   1     0.01   0.03   0.03    -0.03  -0.19  -0.14     0.02   0.14   0.10
    21   1     0.06  -0.07  -0.03    -0.20   0.20   0.10     0.14  -0.15  -0.08
    22   1     0.07  -0.06  -0.08     0.12  -0.13  -0.12     0.10  -0.10  -0.10
    23   1     0.02   0.18   0.06     0.03   0.23   0.09     0.02   0.20   0.08
    24   1    -0.14  -0.06   0.11    -0.12  -0.04   0.10    -0.13  -0.05   0.10
    25   1     0.05   0.19  -0.08     0.06   0.21  -0.08     0.06   0.20  -0.08
    26   1     0.06   0.22  -0.02     0.05   0.23  -0.03     0.05   0.23  -0.04
    27   1    -0.08  -0.11   0.01    -0.07  -0.17   0.03    -0.06  -0.16   0.02
    28   1     0.03   0.19   0.02     0.04   0.26   0.02     0.04   0.23   0.04
    29   1    -0.01  -0.16  -0.02     0.03  -0.16  -0.01    -0.01  -0.17  -0.02
    30   1     0.07  -0.06  -0.01    -0.23   0.22   0.03     0.17  -0.16  -0.04
    31   1    -0.07   0.06   0.02     0.11  -0.18  -0.02    -0.11   0.13   0.02
    32   1     0.10  -0.08   0.01    -0.24   0.19  -0.03     0.18  -0.15   0.04
    33   1    -0.07   0.01   0.00     0.19  -0.10   0.03    -0.14   0.09  -0.02
    34   1     0.31   0.09   0.03    -0.08  -0.02  -0.00    -0.22  -0.07  -0.04
    35   1    -0.23  -0.02  -0.03     0.03  -0.02  -0.01     0.17   0.03   0.02
    36   1     0.31   0.12  -0.03    -0.03  -0.01   0.01    -0.21  -0.08   0.04
    37   1    -0.18  -0.13   0.02     0.06   0.01  -0.01     0.15   0.08  -0.02
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1047.5131              1047.6047              1050.7942
 Red. masses --      3.1933                 3.1927                 3.1353
 Frc consts  --      2.0645                 2.0645                 2.0397
 IR Inten    --     68.9239                68.6282                 0.0195
 RamAct Fr= 1--      0.3158                 0.3209                 2.0815
  Dep-P Fr= 1--      0.7491                 0.7498                 0.4849
  Dep-U Fr= 1--      0.8566                 0.8570                 0.6531
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0110
 Beta2  Fr= 1--      0.0451                 0.0458                 0.2266
 AlphaG Fr= 1--     -0.0000                -0.0000                -0.0471
 Gamma2 Fr= 1--      1.1391                 1.1670                -0.0666
 Delta2 Fr= 1--      0.6247                 0.6348                 1.5336
 Raman1 Fr= 1--       1.263                  1.283                  8.326
 ROA1   Fr= 1--     129.347                132.346                 42.684
 CID1   Fr= 1--     102.387                103.115                  5.127
 Raman2 Fr= 1--       0.541                  0.550                  2.719
 ROA2   Fr= 1--      22.341                 22.929                -13.867
 CID2   Fr= 1--      41.292                 41.690                 -5.100
 Raman3 Fr= 1--       1.082                  1.100                  5.438
 ROA3   Fr= 1--     129.347                132.346                 42.684
 CID3   Fr= 1--     119.534                120.316                  7.849
 RC180  Fr= 1--       0.713                  0.714                  0.306
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.03   0.06     0.10   0.06   0.17     0.08   0.05   0.13
     2   6    -0.03   0.03  -0.06    -0.07   0.09  -0.17    -0.05   0.07  -0.13
     3   7     0.01  -0.04   0.01     0.03  -0.11   0.01     0.03  -0.08   0.01
     4  45     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     5   7    -0.03  -0.04  -0.00    -0.07  -0.09  -0.01    -0.06  -0.07  -0.01
     6   7    -0.12   0.02   0.01    -0.02   0.00   0.00     0.08  -0.01  -0.01
     7   6     0.11  -0.06  -0.18     0.01  -0.01  -0.03    -0.07   0.04   0.12
     8   6     0.05   0.11   0.18     0.01   0.02   0.03    -0.03  -0.08  -0.12
     9   7    -0.09  -0.09  -0.01    -0.01  -0.02  -0.00     0.06   0.06   0.01
    10   7    -0.08   0.02   0.01     0.09  -0.03  -0.01    -0.09   0.02   0.01
    11   6     0.08   0.01  -0.11    -0.09  -0.01   0.14     0.09   0.01  -0.13
    12   6     0.00  -0.07   0.11    -0.01   0.10  -0.14     0.00  -0.09   0.13
    13   7    -0.03   0.07  -0.01     0.04  -0.09   0.01    -0.03   0.08  -0.01
    14   1     0.11   0.10   0.35     0.02   0.03   0.06    -0.08  -0.08  -0.26
    15   1     0.13   0.15   0.22     0.01   0.02   0.02    -0.09  -0.10  -0.15
    16   1     0.15  -0.02  -0.35     0.01   0.00  -0.05    -0.11   0.01   0.26
    17   1     0.19  -0.04  -0.22     0.04  -0.01  -0.04    -0.14   0.03   0.15
    18   1     0.10  -0.03  -0.22    -0.10   0.03   0.27     0.11  -0.03  -0.26
    19   1     0.11  -0.02  -0.13    -0.16   0.03   0.18     0.14  -0.03  -0.15
    20   1     0.03  -0.07   0.21    -0.05   0.12  -0.28     0.05  -0.11   0.27
    21   1     0.04  -0.12   0.14    -0.04   0.14  -0.17     0.04  -0.13   0.15
    22   1    -0.01   0.04  -0.12    -0.04   0.14  -0.33    -0.03   0.11  -0.27
    23   1    -0.03   0.08  -0.09    -0.06   0.17  -0.20    -0.05   0.14  -0.15
    24   1     0.04   0.05   0.13     0.08   0.11   0.33     0.07   0.09   0.27
    25   1     0.04   0.04   0.07     0.12   0.13   0.20     0.10   0.11   0.15
    26   1    -0.03  -0.03  -0.02    -0.06  -0.03  -0.04    -0.05  -0.02  -0.02
    27   1     0.01   0.07  -0.02    -0.00   0.15  -0.05    -0.01   0.09  -0.03
    28   1     0.02  -0.00   0.02     0.04  -0.06   0.04     0.03  -0.04   0.02
    29   1     0.03   0.04   0.02     0.06   0.15   0.05     0.04   0.07   0.03
    30   1     0.01   0.03  -0.03     0.01  -0.07   0.04     0.00   0.05  -0.02
    31   1     0.08  -0.04  -0.03    -0.12   0.07   0.04     0.08  -0.03  -0.03
    32   1    -0.06  -0.00   0.03     0.05   0.02  -0.04    -0.05  -0.01   0.02
    33   1     0.07  -0.08   0.03    -0.07   0.10  -0.04     0.04  -0.07   0.03
    34   1    -0.06   0.04   0.05     0.01   0.01   0.01     0.04  -0.03  -0.02
    35   1     0.14   0.08   0.05     0.01   0.01   0.01    -0.06  -0.05  -0.03
    36   1    -0.02  -0.07  -0.05    -0.02  -0.02  -0.01     0.01   0.05   0.02
    37   1     0.16   0.02  -0.05     0.03   0.01  -0.01    -0.08  -0.00   0.03
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1108.4617              1117.7034              1118.3114
 Red. masses --      1.0212                 1.0268                 1.0266
 Frc consts  --      0.7393                 0.7557                 0.7565
 IR Inten    --      0.9199                 0.0040                 0.0027
 RamAct Fr= 1--      0.0021                 0.7386                 0.7337
  Dep-P Fr= 1--      0.2229                 0.7493                 0.7500
  Dep-U Fr= 1--      0.3645                 0.8567                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0001                 0.1055                 0.1048
 AlphaG Fr= 1--     -0.0001                -0.0000                -0.0000
 Gamma2 Fr= 1--     -0.0006                -0.8126                -0.8224
 Delta2 Fr= 1--      0.0000                -0.3894                -0.3788
 Raman1 Fr= 1--       0.009                  2.954                  2.935
 ROA1   Fr= 1--      -0.053                -90.468                -91.076
 CID1   Fr= 1--      -6.286                -30.621                -31.035
 Raman2 Fr= 1--       0.002                  1.266                  1.258
 ROA2   Fr= 1--      -0.014                -16.386                -16.708
 CID2   Fr= 1--      -8.931                -12.948                -13.285
 Raman3 Fr= 1--       0.003                  2.531                  2.515
 ROA3   Fr= 1--      -0.053                -90.468                -91.076
 CID3   Fr= 1--     -17.243                -35.742                -36.208
 RC180  Fr= 1--      -0.271                  0.713                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00   0.01  -0.00    -0.00  -0.00   0.01
     2   6     0.00  -0.00   0.00    -0.00  -0.01  -0.01     0.00   0.00  -0.00
     3   7    -0.00  -0.01   0.00     0.00  -0.01   0.01    -0.00   0.00  -0.01
     4  45     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     5   7     0.00   0.01   0.00     0.01   0.01   0.01    -0.00  -0.01  -0.01
     6   7    -0.01  -0.00   0.00     0.01  -0.00  -0.01     0.00  -0.00  -0.01
     7   6    -0.00   0.00  -0.00     0.01   0.00   0.01     0.00   0.00  -0.00
     8   6    -0.00   0.00   0.00    -0.01  -0.00   0.00    -0.00  -0.00   0.01
     9   7     0.01   0.00   0.00    -0.01  -0.01  -0.01    -0.01  -0.01  -0.01
    10   7    -0.01   0.01   0.00     0.00  -0.00   0.00    -0.01   0.00   0.01
    11   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.01   0.01  -0.00
    12   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.01  -0.00  -0.01
    13   7     0.01  -0.01   0.00     0.00  -0.00   0.00     0.00  -0.01   0.01
    14   1     0.05   0.09   0.09    -0.07  -0.10  -0.09    -0.03  -0.04  -0.05
    15   1    -0.11  -0.13  -0.18     0.14   0.15   0.20     0.07   0.08   0.11
    16   1    -0.10   0.04   0.09     0.11  -0.03  -0.09     0.07  -0.03  -0.05
    17   1     0.16  -0.04  -0.18    -0.20   0.04   0.20    -0.11   0.02   0.10
    18   1    -0.10   0.00   0.09    -0.02  -0.00   0.00    -0.14   0.01   0.11
    19   1     0.15  -0.03  -0.17     0.01  -0.00  -0.00     0.23  -0.05  -0.24
    20   1     0.02  -0.10   0.09     0.00   0.01   0.00     0.03  -0.14   0.11
    21   1    -0.04   0.15  -0.17    -0.00   0.01  -0.02    -0.08   0.22  -0.24
    22   1     0.05  -0.09   0.09     0.05  -0.10   0.09    -0.04   0.07  -0.05
    23   1    -0.06   0.15  -0.17    -0.06   0.19  -0.20     0.04  -0.11   0.11
    24   1     0.08   0.06   0.09     0.10   0.08   0.09    -0.04  -0.04  -0.05
    25   1    -0.11  -0.11  -0.17    -0.13  -0.16  -0.20     0.08   0.09   0.12
    26   1    -0.08  -0.26   0.01    -0.10  -0.32  -0.00     0.05   0.18   0.00
    27   1     0.09   0.09   0.00     0.11   0.17  -0.00    -0.08  -0.09  -0.00
    28   1     0.02   0.27   0.01     0.03   0.32  -0.00    -0.02  -0.20  -0.00
    29   1     0.05  -0.12   0.00     0.05  -0.19  -0.00    -0.01   0.12   0.01
    30   1    -0.18   0.20   0.01    -0.01   0.01  -0.00    -0.26   0.28  -0.00
    31   1     0.03  -0.12   0.00    -0.01  -0.01   0.00     0.10  -0.21  -0.00
    32   1     0.22  -0.15   0.01     0.02  -0.01   0.00     0.31  -0.22  -0.00
    33   1    -0.13   0.01   0.00    -0.01   0.02  -0.00    -0.22   0.07  -0.00
    34   1     0.28   0.06   0.01    -0.31  -0.07   0.00    -0.17  -0.04  -0.00
    35   1    -0.13   0.04   0.00     0.19  -0.02   0.00     0.11   0.01   0.01
    36   1    -0.26  -0.12   0.01     0.30   0.13   0.00     0.15   0.07   0.01
    37   1     0.08   0.11  -0.00    -0.16  -0.13   0.01    -0.07  -0.08  -0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1171.7747              1172.1504              1193.0513
 Red. masses --      1.0716                 1.0712                 1.0616
 Frc consts  --      0.8669                 0.8671                 0.8903
 IR Inten    --     69.5740                69.4777                 0.0021
 RamAct Fr= 1--      9.6725                 9.6446                 7.7401
  Dep-P Fr= 1--      0.7500                 0.7500                 0.2224
  Dep-U Fr= 1--      0.8571                 0.8571                 0.3638
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0990
 Beta2  Fr= 1--      1.3818                 1.3778                 0.4694
 AlphaG Fr= 1--     -0.0000                 0.0000                -0.1455
 Gamma2 Fr= 1--      1.5559                 1.5929                -0.0546
 Delta2 Fr= 1--      5.6926                 5.7115                -5.2968
 Raman1 Fr= 1--      38.690                 38.579                 30.961
 ROA1   Fr= 1--     331.526                335.689               -174.741
 CID1   Fr= 1--       8.569                  8.701                 -5.644
 Raman2 Fr= 1--      16.581                 16.534                  5.632
 ROA2   Fr= 1--      -8.200                 -7.462                 41.064
 CID2   Fr= 1--      -0.495                 -0.451                  7.291
 Raman3 Fr= 1--      33.163                 33.067                 11.265
 ROA3   Fr= 1--     331.526                335.689               -174.741
 CID3   Fr= 1--       9.997                 10.152                -15.512
 RC180  Fr= 1--       0.714                  0.714                 -0.272
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.01
     2   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.01
     3   7    -0.00  -0.01  -0.00    -0.00  -0.04  -0.02     0.00  -0.02  -0.01
     4  45     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     5   7    -0.00  -0.01   0.01    -0.01  -0.03   0.02    -0.01  -0.02   0.01
     6   7    -0.03  -0.01  -0.02    -0.00  -0.00  -0.00     0.02  -0.00   0.01
     7   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.01
     8   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.01
     9   7    -0.03  -0.01   0.02    -0.01  -0.00   0.00     0.02   0.02  -0.01
    10   7    -0.02   0.01  -0.01     0.02  -0.01   0.01    -0.02   0.01  -0.01
    11   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.01
    12   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.01
    13   7    -0.01   0.02   0.01     0.02  -0.02  -0.01    -0.01   0.02   0.01
    14   1    -0.13  -0.18  -0.24    -0.03  -0.04  -0.05     0.10   0.15   0.17
    15   1     0.02   0.02   0.02    -0.00   0.00   0.00    -0.02  -0.01  -0.02
    16   1    -0.22   0.07   0.24    -0.04   0.01   0.05     0.17  -0.06  -0.17
    17   1     0.02   0.00  -0.01     0.01   0.00  -0.00    -0.02   0.00   0.02
    18   1    -0.16   0.01   0.17     0.17  -0.02  -0.18    -0.18   0.01   0.17
    19   1     0.01  -0.00  -0.01    -0.02   0.01   0.01     0.02  -0.01  -0.02
    20   1    -0.04   0.15  -0.16     0.04  -0.17   0.18    -0.04   0.18  -0.17
    21   1     0.01  -0.02   0.01    -0.01   0.01  -0.01     0.01  -0.02   0.02
    22   1     0.03  -0.07   0.07     0.09  -0.20   0.24     0.08  -0.16   0.17
    23   1     0.00   0.01  -0.00    -0.00   0.02  -0.01    -0.00   0.02  -0.02
    24   1    -0.06  -0.05  -0.08    -0.16  -0.15  -0.23    -0.13  -0.12  -0.17
    25   1     0.00   0.00   0.00     0.01   0.02   0.01     0.01   0.02   0.02
    26   1     0.02   0.08  -0.03     0.04   0.20  -0.10     0.03   0.15  -0.06
    27   1     0.03   0.15  -0.02     0.08   0.35  -0.04     0.07   0.26  -0.03
    28   1     0.01   0.06   0.03     0.04   0.21   0.11     0.03   0.15   0.06
    29   1     0.01   0.10   0.01     0.07   0.38   0.04     0.03   0.27   0.03
    30   1     0.10  -0.09  -0.07    -0.13   0.11   0.08     0.11  -0.10  -0.06
    31   1     0.17  -0.17  -0.03    -0.23   0.21   0.04     0.19  -0.19  -0.03
    32   1     0.12  -0.10   0.08    -0.12   0.10  -0.08     0.11  -0.10   0.06
    33   1     0.22  -0.18   0.03    -0.21   0.17  -0.03     0.22  -0.17   0.03
    34   1     0.20   0.07   0.11     0.03   0.01   0.02    -0.14  -0.05  -0.06
    35   1     0.37   0.12   0.04     0.05   0.01   0.00    -0.27  -0.07  -0.03
    36   1     0.20   0.07  -0.11     0.05   0.02  -0.02    -0.14  -0.05   0.06
    37   1     0.35   0.13  -0.04     0.10   0.03  -0.01    -0.25  -0.11   0.03
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1225.7487              1226.1536              1247.0729
 Red. masses --      1.2483                 1.2468                 1.2371
 Frc consts  --      1.1050                 1.1045                 1.1336
 IR Inten    --      0.0051                 0.0031                38.5500
 RamAct Fr= 1--      6.9633                 6.9945                 0.0011
  Dep-P Fr= 1--      0.7498                 0.7500                 0.4632
  Dep-U Fr= 1--      0.8570                 0.8571                 0.6331
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.9946                 0.9992                 0.0001
 AlphaG Fr= 1--      0.0000                -0.0000                -0.0000
 Gamma2 Fr= 1--     -5.5875                -5.5877                -0.0004
 Delta2 Fr= 1--     -0.6622                -0.6228                -0.0001
 Raman1 Fr= 1--      27.853                 27.978                  0.005
 ROA1   Fr= 1--    -557.594               -556.344                 -0.039
 CID1   Fr= 1--     -20.019                -19.885                 -8.583
 Raman2 Fr= 1--      11.935                 11.990                  0.001
 ROA2   Fr= 1--    -128.803               -129.122                 -0.009
 CID2   Fr= 1--     -10.792                -10.769                 -6.077
 Raman3 Fr= 1--      23.871                 23.981                  0.003
 ROA3   Fr= 1--    -557.594               -556.344                 -0.039
 CID3   Fr= 1--     -23.359                -23.200                -13.556
 RC180  Fr= 1--       0.714                  0.714                  0.266
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.01    -0.00  -0.03   0.02    -0.00  -0.03   0.01
     2   6    -0.01  -0.02  -0.01     0.00   0.04   0.02     0.01   0.03   0.01
     3   7     0.01   0.03   0.02    -0.00  -0.05  -0.03    -0.01  -0.04  -0.02
     4  45     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   7    -0.01  -0.03   0.02     0.01   0.05  -0.03     0.01   0.04  -0.02
     6   7    -0.05  -0.01  -0.04    -0.00   0.00   0.00    -0.04  -0.01  -0.02
     7   6     0.04   0.01   0.02     0.00  -0.01   0.00     0.03   0.01   0.01
     8   6    -0.04  -0.01   0.02    -0.00   0.01   0.00    -0.03  -0.01   0.01
     9   7     0.05   0.02  -0.04     0.00  -0.00  -0.00     0.04   0.01  -0.02
    10   7     0.02  -0.01   0.02     0.04  -0.03   0.03    -0.03   0.03  -0.02
    11   6    -0.02   0.01  -0.01    -0.02   0.03  -0.02     0.02  -0.02   0.01
    12   6     0.02  -0.01  -0.01     0.03  -0.03  -0.02    -0.02   0.02   0.01
    13   7    -0.02   0.02   0.02    -0.03   0.04   0.03     0.03  -0.03  -0.02
    14   1     0.02   0.04   0.16    -0.02  -0.03  -0.02     0.00   0.02   0.09
    15   1     0.00  -0.02  -0.01     0.01   0.01  -0.00     0.03   0.01   0.02
    16   1    -0.04   0.02   0.16    -0.03   0.01   0.02    -0.01   0.01   0.09
    17   1     0.01  -0.02  -0.01     0.01  -0.00   0.00    -0.03  -0.01   0.02
    18   1     0.05   0.00  -0.09     0.02   0.00  -0.13    -0.02  -0.01   0.09
    19   1    -0.02  -0.00   0.00    -0.01  -0.01   0.01    -0.03   0.02   0.02
    20   1     0.00  -0.01  -0.07    -0.01   0.06  -0.15    -0.00  -0.02   0.09
    21   1    -0.01  -0.00   0.01    -0.01  -0.02   0.01     0.02  -0.02   0.02
    22   1     0.00  -0.01  -0.07     0.03  -0.05   0.15     0.01  -0.01   0.09
    23   1     0.01   0.00   0.01    -0.02   0.01  -0.00    -0.00  -0.03   0.02
    24   1    -0.04  -0.03  -0.10     0.02   0.01   0.13     0.02   0.01   0.09
    25   1     0.01   0.01   0.00    -0.01   0.00  -0.01     0.01   0.03   0.02
    26   1     0.01   0.10  -0.07    -0.03  -0.18   0.14    -0.02  -0.12   0.07
    27   1     0.09   0.26  -0.02    -0.10  -0.38   0.03    -0.09  -0.35   0.04
    28   1    -0.03  -0.11  -0.08     0.04   0.17   0.13     0.02   0.11   0.07
    29   1    -0.04  -0.22  -0.02     0.04   0.42   0.03     0.05   0.36   0.04
    30   1     0.09  -0.07  -0.08     0.14  -0.11  -0.13    -0.09   0.08   0.07
    31   1     0.15  -0.14  -0.02     0.29  -0.32  -0.03    -0.26   0.25   0.04
    32   1    -0.07   0.07  -0.07    -0.13   0.13  -0.14     0.09  -0.08   0.07
    33   1    -0.22   0.14  -0.02    -0.32   0.24  -0.03     0.28  -0.22   0.04
    34   1     0.19   0.08   0.15    -0.01  -0.00  -0.01     0.12   0.04   0.08
    35   1     0.46   0.11   0.04     0.04  -0.01   0.00     0.35   0.10   0.04
    36   1    -0.20  -0.06   0.15    -0.01  -0.01   0.01    -0.11  -0.04   0.08
    37   1    -0.43  -0.19   0.04     0.01   0.02  -0.00    -0.34  -0.14   0.04
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1291.1171              1291.1475              1296.0330
 Red. masses --      1.4120                 1.4127                 1.3762
 Frc consts  --      1.3868                 1.3875                 1.3620
 IR Inten    --      0.5905                 0.6152                 0.0035
 RamAct Fr= 1--      1.7048                 1.7364                 5.2463
  Dep-P Fr= 1--      0.7412                 0.7430                 0.0205
  Dep-U Fr= 1--      0.8513                 0.8525                 0.0402
 Alpha2 Fr= 1--      0.0003                 0.0002                 0.1111
 Beta2  Fr= 1--      0.2419                 0.2467                 0.0351
 AlphaG Fr= 1--      0.0001                 0.0001                 0.0278
 Gamma2 Fr= 1--      1.1024                 1.1468                 1.1804
 Delta2 Fr= 1--      0.2462                 0.2619                 0.9020
 Raman1 Fr= 1--       6.819                  6.946                 20.985
 ROA1   Fr= 1--     113.710                118.470                142.185
 CID1   Fr= 1--      16.675                 17.057                  6.776
 Raman2 Fr= 1--       2.903                  2.961                  0.421
 ROA2   Fr= 1--      24.488                 25.428                 21.114
 CID2   Fr= 1--       8.436                  8.588                 50.103
 Raman3 Fr= 1--       5.806                  5.921                  0.843
 ROA3   Fr= 1--     113.710                118.470                142.185
 CID3   Fr= 1--      19.586                 20.007                168.701
 RC180  Fr= 1--       0.703                  0.705                 -0.920
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.02  -0.03    -0.07   0.02   0.03    -0.06   0.02   0.03
     2   6    -0.06   0.01   0.03     0.07  -0.01  -0.03     0.06  -0.01  -0.03
     3   7     0.02   0.01  -0.02    -0.02  -0.01   0.01    -0.02  -0.01   0.01
     4  45     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     5   7    -0.01   0.02   0.01     0.02  -0.02  -0.02     0.02  -0.01  -0.02
     6   7     0.00  -0.01   0.01    -0.01  -0.03   0.02     0.00   0.02  -0.01
     7   6    -0.01   0.03  -0.02    -0.02   0.09  -0.04     0.02  -0.06   0.03
     8   6     0.02  -0.03   0.01     0.03  -0.08   0.04    -0.02   0.05  -0.03
     9   7    -0.01   0.01  -0.00    -0.03   0.02  -0.02     0.01  -0.01   0.01
    10   7     0.00   0.03   0.02     0.00   0.00   0.01     0.00   0.02   0.02
    11   6    -0.05  -0.07  -0.04    -0.01  -0.01  -0.01    -0.04  -0.05  -0.03
    12   6     0.06   0.06   0.04     0.01   0.01   0.00     0.05   0.05   0.03
    13   7    -0.03  -0.01  -0.02    -0.01   0.00   0.00    -0.02  -0.01  -0.02
    14   1     0.01   0.03  -0.05     0.04   0.08  -0.07    -0.01  -0.02   0.06
    15   1    -0.01   0.02   0.12    -0.06   0.02   0.29     0.03  -0.03  -0.22
    16   1     0.03  -0.01   0.01     0.09  -0.04   0.08    -0.03   0.01  -0.06
    17   1    -0.03  -0.02  -0.11    -0.02  -0.05  -0.29     0.01   0.04   0.22
    18   1     0.09   0.01   0.08     0.01  -0.00  -0.01     0.04   0.00   0.07
    19   1    -0.00   0.06  -0.29    -0.02   0.02  -0.04     0.01   0.05  -0.25
    20   1     0.01  -0.09  -0.07    -0.00  -0.02  -0.03     0.00  -0.04  -0.07
    21   1    -0.06   0.00   0.28    -0.00  -0.01   0.04    -0.05  -0.01   0.25
    22   1     0.03  -0.06  -0.04    -0.04   0.06   0.07    -0.02   0.03   0.07
    23   1     0.03   0.04   0.20    -0.04  -0.02  -0.23    -0.04  -0.02  -0.23
    24   1    -0.06  -0.04   0.07     0.06   0.04  -0.05     0.03   0.02  -0.06
    25   1    -0.03   0.03  -0.20     0.02  -0.05   0.22     0.03  -0.03   0.23
    26   1    -0.10  -0.25  -0.02     0.11   0.26   0.04     0.10   0.24   0.02
    27   1     0.10   0.11   0.01    -0.13  -0.14  -0.01    -0.11  -0.14  -0.01
    28   1     0.01  -0.25   0.03    -0.00   0.29  -0.03     0.00   0.26  -0.02
    29   1    -0.06   0.17  -0.01     0.06  -0.15   0.01     0.05  -0.17   0.01
    30   1     0.22  -0.29   0.04     0.04  -0.05  -0.00     0.17  -0.22   0.02
    31   1    -0.07   0.23  -0.01    -0.00   0.01  -0.00    -0.07   0.18  -0.01
    32   1     0.32  -0.18  -0.04     0.04  -0.02  -0.01     0.24  -0.14  -0.02
    33   1    -0.22   0.04   0.01    -0.06   0.01   0.00    -0.19   0.04   0.01
    34   1     0.14   0.01  -0.02     0.37   0.05  -0.04    -0.24  -0.03   0.02
    35   1    -0.11   0.03   0.01    -0.23   0.05   0.01     0.17  -0.02  -0.01
    36   1     0.13   0.08   0.01     0.31   0.19   0.04    -0.20  -0.12  -0.02
    37   1    -0.04  -0.05  -0.00    -0.15  -0.19  -0.01     0.12   0.12   0.01
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1331.8475              1332.0743              1341.4251
 Red. masses --      1.1854                 1.1859                 1.1699
 Frc consts  --      1.2389                 1.2398                 1.2403
 IR Inten    --     25.1226                25.3078                 0.0075
 RamAct Fr= 1--      4.8291                 4.7281                 2.0857
  Dep-P Fr= 1--      0.7500                 0.7500                 0.1725
  Dep-U Fr= 1--      0.8571                 0.8571                 0.2943
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0304
 Beta2  Fr= 1--      0.6899                 0.6754                 0.1023
 AlphaG Fr= 1--     -0.0000                 0.0000                 0.0736
 Gamma2 Fr= 1--     -6.8579                -6.9054                 2.7945
 Delta2 Fr= 1--     -7.0122                -6.9260                 1.5105
 Raman1 Fr= 1--      19.316                 18.913                  8.343
 ROA1   Fr= 1--    -882.750               -884.551                316.604
 CID1   Fr= 1--     -45.700                -46.771                 37.950
 Raman2 Fr= 1--       8.278                  8.105                  1.228
 ROA2   Fr= 1--    -108.492               -110.322                 54.984
 CID2   Fr= 1--     -13.105                -13.611                 44.786
 Raman3 Fr= 1--      16.557                 16.211                  2.455
 ROA3   Fr= 1--    -882.750               -884.551                316.604
 CID3   Fr= 1--     -53.316                -54.566                128.943
 RC180  Fr= 1--       0.714                  0.714                 -0.411
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00  -0.01    -0.00   0.01  -0.04    -0.01   0.01  -0.03
     2   6    -0.00   0.00   0.01     0.01   0.01   0.04     0.01   0.01   0.03
     3   7    -0.00  -0.01  -0.01    -0.04  -0.03  -0.02    -0.02  -0.03  -0.01
     4  45     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     5   7     0.01  -0.01   0.00     0.02  -0.05   0.02     0.01  -0.03   0.01
     6   7    -0.03  -0.04  -0.02    -0.01  -0.01  -0.01     0.02   0.03   0.01
     7   6     0.00   0.01   0.04     0.01  -0.00   0.01    -0.00  -0.01  -0.03
     8   6     0.01  -0.00  -0.04     0.00  -0.01  -0.01    -0.01   0.01   0.03
     9   7    -0.04   0.01   0.02    -0.02   0.01   0.00     0.03  -0.01  -0.01
    10   7    -0.01   0.04  -0.01     0.01  -0.03   0.01    -0.01   0.03  -0.01
    11   6    -0.00  -0.01   0.03    -0.01   0.01  -0.03    -0.00  -0.01   0.03
    12   6     0.01  -0.00  -0.03    -0.01  -0.00   0.03     0.01   0.00  -0.03
    13   7    -0.03   0.01   0.01     0.04  -0.00  -0.01    -0.04   0.01   0.01
    14   1     0.16   0.23   0.20     0.07   0.09   0.10    -0.12  -0.16  -0.15
    15   1    -0.10  -0.14  -0.23    -0.06  -0.07  -0.08     0.10   0.11   0.16
    16   1     0.29  -0.09  -0.24     0.06  -0.02  -0.03    -0.19   0.05   0.15
    17   1    -0.19   0.05   0.24    -0.02   0.01   0.06     0.15  -0.03  -0.16
    18   1     0.25  -0.03  -0.20    -0.18   0.01   0.12     0.20  -0.02  -0.15
    19   1    -0.17   0.03   0.19     0.10  -0.01  -0.16    -0.15   0.03   0.16
    20   1     0.04  -0.20   0.14    -0.05   0.22  -0.19     0.05  -0.20   0.15
    21   1    -0.02   0.11  -0.17     0.05  -0.15   0.18    -0.05   0.15  -0.16
    22   1    -0.02   0.03  -0.01    -0.13   0.28  -0.24    -0.08   0.18  -0.15
    23   1     0.01  -0.00   0.04     0.08  -0.18   0.25     0.05  -0.15   0.16
    24   1     0.06   0.07   0.09     0.22   0.20   0.22     0.14   0.13   0.15
    25   1    -0.05  -0.06  -0.07    -0.13  -0.13  -0.24    -0.10  -0.11  -0.16
    26   1     0.03   0.06  -0.01     0.08   0.19  -0.07     0.07   0.18  -0.04
    27   1    -0.02   0.02  -0.01    -0.00   0.16  -0.02     0.01   0.11  -0.02
    28   1     0.00   0.02   0.02     0.00   0.21   0.06     0.00   0.20   0.04
    29   1    -0.00   0.05   0.00     0.07   0.14   0.02     0.04   0.10   0.02
    30   1     0.09  -0.11  -0.05    -0.10   0.13   0.04     0.13  -0.16  -0.04
    31   1     0.10  -0.07  -0.01    -0.09   0.03   0.02     0.10  -0.06  -0.02
    32   1     0.15  -0.09   0.05    -0.10   0.06  -0.05     0.17  -0.10   0.04
    33   1     0.05  -0.10   0.02    -0.08   0.08  -0.01     0.07  -0.09   0.02
    34   1     0.21   0.03   0.06     0.04   0.01   0.03    -0.20  -0.03  -0.04
    35   1     0.12   0.09   0.02     0.06   0.01   0.00    -0.10  -0.05  -0.02
    36   1     0.17   0.09  -0.07     0.07   0.05  -0.01    -0.17  -0.09   0.04
    37   1     0.15   0.02  -0.02     0.04  -0.02  -0.01    -0.11  -0.02   0.02
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1346.2580              1348.4601              1348.5031
 Red. masses --      1.1927                 1.1917                 1.1913
 Frc consts  --      1.2736                 1.2767                 1.2764
 IR Inten    --     11.9941                 4.1926                 4.3316
 RamAct Fr= 1--      0.0203                10.3436                10.2244
  Dep-P Fr= 1--      0.6612                 0.7499                 0.7499
  Dep-U Fr= 1--      0.7960                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0027                 1.4775                 1.4605
 AlphaG Fr= 1--      0.0000                -0.0001                 0.0000
 Gamma2 Fr= 1--      0.0068                11.4343                11.2751
 Delta2 Fr= 1--     -0.0046                 2.7038                 2.6392
 Raman1 Fr= 1--       0.081                 41.374                 40.898
 ROA1   Fr= 1--       0.504               1184.217               1166.861
 CID1   Fr= 1--       6.204                 28.622                 28.531
 Raman2 Fr= 1--       0.032                 17.730                 17.526
 ROA2   Fr= 1--       0.199                252.793                249.488
 CID2   Fr= 1--       6.165                 14.258                 14.235
 Raman3 Fr= 1--       0.065                 35.461                 35.052
 ROA3   Fr= 1--       0.504               1184.217               1166.861
 CID3   Fr= 1--       7.794                 33.395                 33.289
 RC180  Fr= 1--       0.592                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.01  -0.01    -0.04  -0.00  -0.01     0.04   0.01   0.00
     2   6    -0.03   0.02  -0.01    -0.03   0.02  -0.00     0.03  -0.02   0.01
     3   7     0.03   0.01  -0.00     0.02   0.01  -0.00    -0.03  -0.02   0.00
     4  45     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   7     0.02  -0.03  -0.00     0.02  -0.03  -0.00    -0.02   0.02   0.00
     6   7     0.01   0.03  -0.00    -0.02  -0.04   0.00    -0.01  -0.01  -0.00
     7   6     0.03  -0.03  -0.01    -0.03   0.04   0.01    -0.00   0.01   0.01
     8   6    -0.00  -0.04  -0.01     0.00   0.05   0.01     0.00   0.01  -0.00
     9   7    -0.03   0.02  -0.00     0.04  -0.02   0.00    -0.00  -0.00   0.00
    10   7    -0.00  -0.03  -0.00     0.00  -0.02   0.00    -0.00  -0.04  -0.00
    11   6     0.03   0.02  -0.01     0.02   0.01  -0.01     0.05   0.02  -0.01
    12   6     0.01   0.03  -0.01     0.00   0.02   0.00     0.02   0.05  -0.01
    13   7    -0.03  -0.01  -0.00    -0.01  -0.00  -0.00    -0.05  -0.01  -0.00
    14   1     0.13   0.16   0.22    -0.18  -0.23  -0.28    -0.01  -0.02  -0.02
    15   1    -0.12  -0.11  -0.05     0.14   0.14   0.08     0.00   0.00  -0.01
    16   1    -0.20   0.05   0.22     0.26  -0.07  -0.27     0.08  -0.02  -0.08
    17   1     0.15  -0.01  -0.05    -0.18   0.02   0.07    -0.06   0.01   0.04
    18   1    -0.19   0.03   0.20    -0.12   0.02   0.12    -0.27   0.03   0.27
    19   1     0.14  -0.04  -0.05     0.09  -0.03  -0.04     0.18  -0.05  -0.07
    20   1     0.05  -0.18   0.21     0.02  -0.07   0.07     0.08  -0.28   0.28
    21   1    -0.06   0.13  -0.05    -0.01   0.04  -0.01    -0.08   0.19  -0.08
    22   1     0.07  -0.19   0.22     0.07  -0.16   0.17    -0.09   0.21  -0.23
    23   1    -0.03   0.15  -0.05    -0.03   0.11  -0.03     0.04  -0.16   0.07
    24   1     0.14   0.15   0.22     0.15   0.15   0.21    -0.14  -0.13  -0.19
    25   1    -0.09  -0.13  -0.05    -0.09  -0.12  -0.07     0.08   0.10   0.04
    26   1     0.09   0.20  -0.01     0.10   0.22  -0.01    -0.09  -0.19   0.01
    27   1    -0.08  -0.03  -0.01    -0.05   0.00  -0.01     0.06   0.02   0.01
    28   1     0.01  -0.22  -0.01     0.01  -0.18  -0.00    -0.00   0.26   0.01
    29   1    -0.06   0.06  -0.01    -0.05   0.04  -0.01     0.05  -0.02   0.01
    30   1     0.11  -0.16  -0.01     0.04  -0.06   0.00     0.19  -0.26  -0.01
    31   1     0.02   0.08  -0.01     0.00   0.04  -0.01     0.03   0.07  -0.02
    32   1    -0.18   0.09  -0.01    -0.13   0.07  -0.01    -0.27   0.15  -0.01
    33   1     0.08   0.02  -0.01     0.01   0.02  -0.01     0.07   0.04  -0.02
    34   1    -0.21  -0.02  -0.01     0.30   0.03   0.01     0.09   0.01   0.01
    35   1     0.06  -0.05  -0.01    -0.05   0.06   0.02     0.01   0.01   0.00
    36   1     0.19   0.12  -0.01    -0.28  -0.17   0.01    -0.01  -0.01  -0.00
    37   1    -0.02  -0.08  -0.01    -0.00   0.08   0.02     0.01   0.02   0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1404.5241              1405.5276              1405.7048
 Red. masses --      1.2649                 1.2670                 1.2666
 Frc consts  --      1.4702                 1.4747                 1.4746
 IR Inten    --      0.0749                 1.3551                 1.3702
 RamAct Fr= 1--      0.0108                 2.1558                 2.2321
  Dep-P Fr= 1--      0.7458                 0.7484                 0.7498
  Dep-U Fr= 1--      0.8544                 0.8561                 0.8570
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0000
 Beta2  Fr= 1--      0.0015                 0.3076                 0.3188
 AlphaG Fr= 1--     -0.0000                 0.0000                -0.0000
 Gamma2 Fr= 1--     -0.0167                -2.7248                -2.8254
 Delta2 Fr= 1--     -0.0074                -1.1600                -1.2067
 Raman1 Fr= 1--       0.043                  8.623                  8.928
 ROA1   Fr= 1--      -1.841               -298.697               -309.853
 CID1   Fr= 1--     -42.569                -34.640                -34.704
 Raman2 Fr= 1--       0.018                  3.691                  3.826
 ROA2   Fr= 1--      -0.342                -56.114                -58.157
 CID2   Fr= 1--     -18.511                -15.202                -15.201
 Raman3 Fr= 1--       0.037                  7.382                  7.652
 ROA3   Fr= 1--      -1.841               -298.697               -309.853
 CID3   Fr= 1--     -49.823                -40.461                -40.495
 RC180  Fr= 1--       0.709                  0.712                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.03   0.04    -0.00  -0.01  -0.02     0.01   0.05   0.07
     2   6    -0.00  -0.03   0.04     0.00   0.01  -0.02    -0.01  -0.05   0.07
     3   7     0.01  -0.01  -0.01    -0.00   0.00   0.00     0.01  -0.01  -0.02
     4  45    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     5   7     0.01   0.00  -0.01    -0.01  -0.00   0.01     0.02   0.00  -0.02
     6   7    -0.01   0.01  -0.02    -0.01   0.01  -0.02     0.00  -0.00   0.00
     7   6    -0.04  -0.01   0.05    -0.04  -0.01   0.06     0.01   0.00  -0.02
     8   6     0.04   0.01   0.05     0.04   0.02   0.06    -0.01  -0.01  -0.02
     9   7     0.00   0.02  -0.02     0.00   0.02  -0.02    -0.00  -0.01   0.01
    10   7    -0.01  -0.00  -0.01     0.01   0.01   0.02     0.01   0.01   0.01
    11   6    -0.03   0.02   0.04     0.03  -0.02  -0.05     0.02  -0.02  -0.04
    12   6     0.02  -0.02   0.04    -0.03   0.03  -0.05    -0.02   0.02  -0.05
    13   7    -0.00  -0.01  -0.01     0.00   0.01   0.02     0.00   0.01   0.01
    14   1    -0.09  -0.12  -0.20    -0.10  -0.12  -0.25     0.03   0.04   0.07
    15   1    -0.16  -0.20  -0.21    -0.17  -0.23  -0.25     0.07   0.08   0.08
    16   1     0.14  -0.04  -0.20     0.16  -0.04  -0.24    -0.04   0.00   0.08
    17   1     0.25  -0.06  -0.21     0.28  -0.08  -0.26    -0.06   0.02   0.07
    18   1     0.13  -0.01  -0.17    -0.14   0.02   0.20    -0.11   0.02   0.18
    19   1     0.22  -0.04  -0.18    -0.26   0.04   0.22    -0.20   0.02   0.18
    20   1    -0.03   0.13  -0.17     0.04  -0.13   0.21     0.03  -0.12   0.17
    21   1    -0.07   0.21  -0.18     0.06  -0.23   0.21     0.06  -0.22   0.19
    22   1    -0.06   0.12  -0.17     0.01  -0.04   0.08    -0.07   0.16  -0.26
    23   1    -0.08   0.21  -0.18     0.03  -0.06   0.07    -0.12   0.30  -0.28
    24   1    -0.09  -0.09  -0.17     0.04   0.03   0.07    -0.12  -0.12  -0.27
    25   1    -0.15  -0.16  -0.18     0.07   0.08   0.08    -0.22  -0.22  -0.28
    26   1     0.04   0.08   0.02    -0.02  -0.05  -0.01     0.07   0.13   0.03
    27   1    -0.06  -0.08  -0.01     0.02   0.03   0.00    -0.07  -0.11  -0.01
    28   1     0.01  -0.09   0.02    -0.00   0.02  -0.01     0.01  -0.15   0.03
    29   1    -0.02   0.10  -0.01     0.01  -0.04   0.00    -0.02   0.13  -0.01
    30   1     0.05  -0.08   0.02    -0.06   0.09  -0.02    -0.06   0.09  -0.02
    31   1    -0.04   0.09  -0.01     0.05  -0.09   0.01     0.05  -0.08   0.01
    32   1    -0.09   0.04   0.02     0.12  -0.06  -0.02     0.08  -0.04  -0.02
    33   1     0.10  -0.03  -0.01    -0.10   0.04   0.01    -0.09   0.03   0.01
    34   1    -0.11  -0.00   0.02    -0.14  -0.01   0.03     0.03   0.00  -0.01
    35   1     0.12  -0.01  -0.01     0.12  -0.00  -0.01    -0.04   0.01   0.00
    36   1     0.09   0.06   0.02     0.11   0.08   0.03    -0.05  -0.03  -0.01
    37   1    -0.09  -0.08  -0.01    -0.09  -0.08  -0.01     0.03   0.02   0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1443.1425              1443.4477              1446.5816
 Red. masses --      1.4440                 1.4419                 1.4480
 Frc consts  --      1.7718                 1.7700                 1.7853
 IR Inten    --      3.8558                 3.8701                 0.0073
 RamAct Fr= 1--      0.4904                 0.4789                 0.5124
  Dep-P Fr= 1--      0.7443                 0.7464                 0.6371
  Dep-U Fr= 1--      0.8534                 0.8548                 0.7784
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0010
 Beta2  Fr= 1--      0.0698                 0.0682                 0.0665
 AlphaG Fr= 1--      0.0002                -0.0002                -0.0331
 Gamma2 Fr= 1--      0.7042                 0.7308                 0.3001
 Delta2 Fr= 1--      0.5830                 0.5853                 0.3743
 Raman1 Fr= 1--       1.962                  1.915                  2.050
 ROA1   Fr= 1--      86.260                 88.885                 40.789
 CID1   Fr= 1--      43.976                 46.404                 19.900
 Raman2 Fr= 1--       0.837                  0.819                  0.798
 ROA2   Fr= 1--      12.238                 12.856                  4.208
 CID2   Fr= 1--      14.621                 15.704                  5.275
 Raman3 Fr= 1--       1.674                  1.637                  1.595
 ROA3   Fr= 1--      86.260                 88.885                 40.789
 CID3   Fr= 1--      51.529                 54.288                 25.567
 RC180  Fr= 1--       0.707                  0.710                  0.557
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.03     0.03   0.02   0.09     0.03   0.01   0.08
     2   6    -0.01   0.01  -0.03    -0.02   0.03  -0.10    -0.02   0.02  -0.07
     3   7    -0.00   0.00   0.01    -0.01   0.01   0.03    -0.01   0.01   0.02
     4  45    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   7     0.01   0.00  -0.01     0.01   0.01  -0.03     0.01   0.01  -0.02
     6   7     0.01  -0.01   0.03     0.00  -0.00   0.01    -0.01   0.00  -0.02
     7   6     0.03  -0.02  -0.10     0.00  -0.00  -0.02    -0.02   0.01   0.07
     8   6     0.01   0.04   0.10     0.00   0.01   0.02    -0.01  -0.02  -0.07
     9   7     0.01   0.01  -0.03     0.00   0.00  -0.00    -0.01  -0.01   0.02
    10   7     0.01   0.00   0.02    -0.01  -0.00  -0.02     0.01   0.00   0.02
    11   6     0.02   0.00  -0.06    -0.03  -0.00   0.08     0.03   0.00  -0.07
    12   6    -0.00  -0.02   0.06    -0.00   0.03  -0.08     0.00  -0.03   0.07
    13   7     0.00  -0.01  -0.02     0.00   0.01   0.02     0.00  -0.01  -0.02
    14   1    -0.11  -0.07  -0.19    -0.03  -0.03  -0.04     0.08   0.07   0.12
    15   1    -0.14  -0.27  -0.36    -0.04  -0.06  -0.07     0.10   0.18   0.23
    16   1    -0.14  -0.01   0.19    -0.02  -0.01   0.03     0.10  -0.01  -0.12
    17   1    -0.28   0.13   0.37    -0.04   0.03   0.07     0.19  -0.08  -0.23
    18   1    -0.08   0.04   0.12     0.09  -0.05  -0.14    -0.10   0.04   0.13
    19   1    -0.20  -0.00   0.23     0.23   0.02  -0.28    -0.22  -0.00   0.25
    20   1    -0.05   0.06  -0.11     0.06  -0.10   0.14    -0.05   0.10  -0.13
    21   1    -0.01   0.18  -0.22     0.03  -0.25   0.28    -0.03   0.22  -0.25
    22   1    -0.01  -0.03   0.06     0.01  -0.13   0.17     0.02  -0.11   0.13
    23   1     0.05  -0.06   0.11     0.15  -0.25   0.34     0.11  -0.20   0.25
    24   1    -0.03  -0.04  -0.06    -0.05  -0.11  -0.17    -0.06  -0.10  -0.13
    25   1    -0.08  -0.07  -0.12    -0.23  -0.16  -0.34    -0.18  -0.14  -0.26
    26   1     0.02   0.03   0.01     0.05   0.08   0.06     0.04   0.05   0.05
    27   1    -0.03  -0.05  -0.00    -0.05  -0.14  -0.01    -0.04  -0.14  -0.00
    28   1    -0.01   0.03  -0.03    -0.02   0.10  -0.06    -0.02   0.06  -0.05
    29   1    -0.01  -0.04   0.00     0.00  -0.15   0.01    -0.01  -0.14  -0.00
    30   1     0.03  -0.06   0.05    -0.04   0.07  -0.04     0.03  -0.06   0.05
    31   1    -0.07   0.07  -0.00     0.08  -0.10   0.00    -0.09   0.10   0.00
    32   1     0.06  -0.02  -0.03    -0.07   0.02   0.06     0.06  -0.02  -0.05
    33   1    -0.09   0.05   0.00     0.10  -0.07  -0.00    -0.11   0.08  -0.00
    34   1     0.10  -0.01  -0.06     0.02  -0.00  -0.02    -0.06   0.01   0.05
    35   1    -0.16  -0.02   0.01    -0.03  -0.02   0.00     0.13   0.03   0.00
    36   1     0.08   0.07   0.07     0.02   0.01   0.00    -0.04  -0.04  -0.05
    37   1    -0.15  -0.08  -0.01    -0.03  -0.03  -0.00     0.12   0.05  -0.00
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1502.6718              1502.9195              1503.0272
 Red. masses --      1.0825                 1.0796                 1.0836
 Frc consts  --      1.4402                 1.4367                 1.4422
 IR Inten    --     44.5735                18.2203                 8.9762
 RamAct Fr= 1--      1.9145                 2.4376                 6.6335
  Dep-P Fr= 1--      0.3380                 0.7471                 0.1634
  Dep-U Fr= 1--      0.5052                 0.8552                 0.2809
 Alpha2 Fr= 1--      0.0175                 0.0001                 0.0991
 Beta2  Fr= 1--      0.1612                 0.3474                 0.3105
 AlphaG Fr= 1--      0.0422                 0.0002                 0.2404
 Gamma2 Fr= 1--     -0.0663                 0.9901                 0.3852
 Delta2 Fr= 1--      0.0886                 0.7622                 0.3493
 Raman1 Fr= 1--       7.658                  9.750                 26.534
 ROA1   Fr= 1--      -3.528                119.443                 48.160
 CID1   Fr= 1--      -0.461                 12.250                  1.815
 Raman2 Fr= 1--       1.934                  4.169                  3.726
 ROA2   Fr= 1--      -2.299                 17.666                  6.452
 CID2   Fr= 1--      -1.188                  4.237                  1.731
 Raman3 Fr= 1--       3.869                  8.339                  7.453
 ROA3   Fr= 1--      -3.528                119.443                 48.160
 CID3   Fr= 1--      -0.912                 14.324                  6.462
 RC180  Fr= 1--       0.010                  0.710                 -0.438
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.01     0.00   0.00   0.00    -0.00  -0.01   0.00
     2   6     0.01  -0.01  -0.01    -0.01   0.02   0.02     0.01  -0.04  -0.04
     3   7    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.01  -0.00
     4  45    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     5   7    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   7    -0.01  -0.00  -0.00    -0.01   0.00  -0.00     0.00  -0.00   0.00
     7   6    -0.05   0.01  -0.04    -0.03   0.00  -0.03     0.01  -0.00   0.01
     8   6    -0.00   0.00  -0.01    -0.01  -0.01   0.00     0.01   0.01  -0.01
     9   7     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    10   7    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.01   0.00  -0.00
    11   6    -0.01   0.00  -0.01    -0.02   0.01  -0.00    -0.04   0.01  -0.03
    12   6     0.01  -0.03  -0.03    -0.02   0.04   0.04    -0.01   0.02   0.01
    13   7     0.00  -0.00  -0.00    -0.00   0.01   0.00     0.00   0.01   0.00
    14   1    -0.01  -0.05   0.03    -0.00   0.05  -0.03     0.00  -0.13   0.09
    15   1    -0.03   0.03   0.06     0.07   0.02  -0.00    -0.14   0.00   0.06
    16   1     0.29  -0.37   0.29     0.21  -0.26   0.20    -0.07   0.09  -0.07
    17   1     0.39   0.30   0.22     0.30   0.21   0.14    -0.10  -0.07  -0.04
    18   1     0.12   0.06   0.08     0.09   0.06   0.07     0.31   0.18   0.22
    19   1     0.05  -0.12   0.08     0.10  -0.11   0.02     0.21  -0.33   0.15
    20   1     0.11   0.29   0.19    -0.16  -0.40  -0.27    -0.08  -0.18  -0.12
    21   1    -0.30   0.12   0.15     0.42  -0.19  -0.19     0.20  -0.11  -0.06
    22   1    -0.13   0.08   0.10     0.19  -0.11  -0.13    -0.34   0.20   0.25
    23   1     0.08   0.13   0.08    -0.11  -0.21  -0.10     0.21   0.37   0.18
    24   1    -0.07  -0.01   0.05     0.01   0.00  -0.00     0.04   0.00  -0.03
    25   1     0.03  -0.06   0.06    -0.01   0.01  -0.01     0.02   0.06   0.01
    26   1    -0.01  -0.03   0.02    -0.00  -0.01  -0.00     0.00   0.00   0.02
    27   1     0.03   0.00   0.00    -0.01  -0.00  -0.00     0.03   0.01   0.00
    28   1     0.00   0.01   0.00     0.00   0.00   0.01     0.00   0.02  -0.01
    29   1     0.01  -0.00   0.00     0.01  -0.01   0.00    -0.00   0.01  -0.00
    30   1    -0.01   0.01  -0.00     0.00  -0.00   0.02    -0.00   0.00   0.02
    31   1    -0.00  -0.00  -0.00    -0.01  -0.03   0.00    -0.01  -0.03   0.00
    32   1     0.01  -0.01   0.01    -0.01   0.00  -0.03     0.00  -0.00  -0.02
    33   1    -0.02  -0.01   0.00     0.04   0.02  -0.00     0.02   0.01  -0.00
    34   1     0.02   0.01  -0.01    -0.02  -0.00  -0.03    -0.01  -0.00   0.01
    35   1     0.01   0.00  -0.00     0.02  -0.02  -0.00    -0.01   0.00   0.00
    36   1    -0.01  -0.01   0.02     0.01   0.00   0.01    -0.02  -0.01   0.00
    37   1     0.00   0.04   0.00     0.00   0.02   0.00    -0.00   0.00   0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1503.3185              1503.5781              1503.9600
 Red. masses --      1.0792                 1.0792                 1.0798
 Frc consts  --      1.4370                 1.4375                 1.4391
 IR Inten    --      4.8342                21.8620                 6.1460
 RamAct Fr= 1--     12.8330                 3.3390                11.9877
  Dep-P Fr= 1--      0.7499                 0.7064                 0.6541
  Dep-U Fr= 1--      0.8571                 0.8279                 0.7909
 Alpha2 Fr= 1--      0.0000                 0.0025                 0.0206
 Beta2  Fr= 1--      1.8331                 0.4607                 1.5801
 AlphaG Fr= 1--      0.0002                 0.0058                 0.0498
 Gamma2 Fr= 1--     -5.4937                 1.0311                -3.7039
 Delta2 Fr= 1--     -1.3576                 0.9677                -0.6253
 Raman1 Fr= 1--      51.332                 13.356                 47.951
 ROA1   Fr= 1--    -570.840                129.950               -375.582
 CID1   Fr= 1--     -11.121                  9.730                 -7.833
 Raman2 Fr= 1--      21.997                  5.529                 18.962
 ROA2   Fr= 1--    -120.988                 17.005                -83.890
 CID2   Fr= 1--      -5.500                  3.076                 -4.424
 Raman3 Fr= 1--      43.994                 11.058                 37.923
 ROA3   Fr= 1--    -570.840                129.950               -375.582
 CID3   Fr= 1--     -12.975                 11.752                 -9.904
 RC180  Fr= 1--       0.714                  0.656                  0.582
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01   0.00    -0.01  -0.02   0.02    -0.04  -0.04   0.05
     2   6     0.01  -0.04  -0.03     0.00  -0.01  -0.00    -0.00   0.00   0.01
     3   7     0.00  -0.01  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     4  45     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     5   7    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.01   0.00
     6   7    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   6    -0.01   0.00  -0.01    -0.00  -0.00   0.01    -0.00   0.00  -0.01
     8   6    -0.01  -0.01   0.00    -0.04  -0.04   0.04     0.01   0.01  -0.02
     9   7     0.00  -0.00   0.00    -0.01  -0.01   0.00     0.00   0.00  -0.00
    10   7     0.01  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    11   6     0.04  -0.01   0.04    -0.01   0.00  -0.01     0.00  -0.00  -0.00
    12   6    -0.00   0.01   0.02     0.00  -0.01  -0.01     0.00  -0.01  -0.00
    13   7    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    14   1    -0.00   0.07  -0.04     0.01   0.54  -0.33    -0.00  -0.21   0.13
    15   1     0.09   0.02  -0.02     0.58   0.01  -0.24    -0.22  -0.00   0.10
    16   1     0.08  -0.11   0.08    -0.02   0.01  -0.01     0.04  -0.04   0.03
    17   1     0.13   0.08   0.05     0.02  -0.03  -0.05     0.03   0.04   0.04
    18   1    -0.37  -0.21  -0.26     0.13   0.07   0.08    -0.01  -0.01  -0.01
    19   1    -0.22   0.39  -0.20     0.09  -0.13   0.06    -0.02   0.02   0.00
    20   1    -0.06  -0.17  -0.11     0.03   0.07   0.04     0.02   0.05   0.03
    21   1     0.17  -0.04  -0.11    -0.07   0.02   0.04    -0.06   0.04   0.01
    22   1    -0.30   0.18   0.21    -0.05   0.03   0.04     0.06  -0.04  -0.04
    23   1     0.17   0.34   0.14     0.02   0.07   0.01    -0.05  -0.03  -0.07
    24   1     0.06   0.00  -0.04     0.21   0.03  -0.13     0.55   0.08  -0.34
    25   1     0.02   0.08   0.00    -0.02   0.22  -0.09    -0.07   0.59  -0.25
    26   1    -0.00  -0.01   0.02     0.00   0.00   0.01    -0.00   0.00   0.02
    27   1     0.03   0.01   0.00     0.01   0.00   0.00     0.01   0.01   0.00
    28   1    -0.00  -0.02  -0.02     0.00   0.00  -0.01    -0.00  -0.01  -0.02
    29   1    -0.03   0.02  -0.00    -0.01   0.01  -0.00    -0.04   0.02  -0.00
    30   1     0.01  -0.01  -0.01     0.00  -0.00  -0.00     0.02  -0.02  -0.01
    31   1     0.01   0.03  -0.00     0.00  -0.00   0.00     0.01   0.02  -0.00
    32   1    -0.01   0.01   0.01    -0.02   0.01  -0.02     0.01  -0.01   0.01
    33   1     0.00   0.00   0.00     0.02   0.01  -0.00    -0.01  -0.01   0.00
    34   1    -0.01  -0.00  -0.01    -0.00  -0.00  -0.02     0.01   0.00   0.01
    35   1     0.01  -0.01  -0.00     0.03  -0.03  -0.00    -0.01   0.01   0.00
    36   1    -0.02  -0.01   0.02     0.00  -0.00   0.02     0.00   0.00  -0.01
    37   1    -0.00   0.03   0.00     0.01   0.02   0.00    -0.00  -0.00  -0.00
                     76                     77                     78
                      A                      A                      A
 Frequencies --   1643.7687              1657.2017              1657.7968
 Red. masses --      1.0765                 1.0784                 1.0781
 Frc consts  --      1.7137                 1.7450                 1.7457
 IR Inten    --     84.6136                39.8373                41.2688
 RamAct Fr= 1--      0.0139                 6.2450                 5.8631
  Dep-P Fr= 1--      0.7456                 0.7500                 0.7498
  Dep-U Fr= 1--      0.8543                 0.8571                 0.8570
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0020                 0.8921                 0.8374
 AlphaG Fr= 1--      0.0000                 0.0000                -0.0004
 Gamma2 Fr= 1--      0.0053                 4.0420                 3.4774
 Delta2 Fr= 1--      0.0084                 5.2334                 4.8502
 Raman1 Fr= 1--       0.056                 24.980                 23.452
 ROA1   Fr= 1--       0.774                555.498                489.034
 CID1   Fr= 1--      13.890                 22.238                 20.852
 Raman2 Fr= 1--       0.024                 10.706                 10.049
 ROA2   Fr= 1--       0.059                 55.140                 44.656
 CID2   Fr= 1--       2.500                  5.151                  4.444
 Raman3 Fr= 1--       0.048                 21.411                 20.099
 ROA3   Fr= 1--       0.774                555.498                489.034
 CID3   Fr= 1--      16.260                 25.944                 24.332
 RC180  Fr= 1--       0.709                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00   0.01    -0.00   0.00  -0.01
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.01    -0.00  -0.00   0.00
     3   7    -0.02   0.01  -0.02    -0.02   0.02  -0.02    -0.01   0.01  -0.01
     4  45    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     5   7    -0.02  -0.01  -0.02     0.01   0.00   0.01    -0.03  -0.01  -0.02
     6   7     0.02  -0.02  -0.02    -0.02   0.01   0.02    -0.02   0.02   0.02
     7   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.01
     8   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.01
     9   7    -0.00  -0.02  -0.02     0.00   0.02   0.02    -0.00  -0.03  -0.02
    10   7     0.02   0.01  -0.02    -0.01  -0.00   0.01    -0.03  -0.01   0.02
    11   6     0.00   0.00  -0.00     0.00  -0.00   0.01     0.00  -0.01   0.01
    12   6     0.00   0.00  -0.00     0.01  -0.00  -0.01    -0.00  -0.00  -0.00
    13   7     0.01   0.02  -0.02     0.01   0.03  -0.02    -0.00  -0.01   0.01
    14   1     0.01   0.02  -0.00    -0.01  -0.01   0.00     0.02  -0.02   0.03
    15   1     0.00  -0.01  -0.01     0.00   0.01   0.01    -0.04  -0.00   0.01
    16   1    -0.02   0.01  -0.00     0.01  -0.00   0.00     0.00   0.02  -0.03
    17   1     0.00  -0.01  -0.01    -0.00   0.01   0.01    -0.03  -0.02  -0.01
    18   1    -0.02  -0.00  -0.00    -0.01  -0.02  -0.03     0.01  -0.01  -0.01
    19   1     0.01   0.01  -0.01    -0.01   0.02  -0.01    -0.02   0.01   0.00
    20   1     0.00  -0.02   0.00     0.02   0.00   0.02     0.00   0.01   0.01
    21   1     0.01   0.01  -0.01    -0.02   0.02   0.00    -0.01   0.00   0.00
    22   1     0.01  -0.02  -0.00    -0.02  -0.01   0.02     0.01  -0.01  -0.01
    23   1    -0.01   0.00  -0.01     0.01   0.03   0.00    -0.01  -0.01  -0.01
    24   1     0.02   0.01  -0.00     0.02  -0.01  -0.03    -0.00   0.01   0.01
    25   1    -0.01   0.00  -0.01    -0.00   0.03  -0.01    -0.01  -0.02  -0.00
    26   1     0.06   0.08   0.27    -0.04  -0.05  -0.16     0.07   0.10   0.31
    27   1     0.28  -0.04   0.02    -0.17   0.02  -0.01     0.34  -0.02   0.03
    28   1     0.03  -0.11   0.28     0.04  -0.13   0.36     0.01  -0.04   0.12
    29   1     0.29  -0.07   0.02     0.37  -0.12   0.03     0.12  -0.04   0.01
    30   1     0.04  -0.10   0.29     0.05  -0.13   0.36    -0.01   0.03  -0.10
    31   1    -0.19  -0.24   0.02    -0.23  -0.33   0.03     0.05   0.09  -0.01
    32   1    -0.10   0.03   0.26     0.05  -0.01  -0.13     0.12  -0.03  -0.31
    33   1    -0.19  -0.19   0.02     0.10   0.10  -0.01     0.25   0.23  -0.03
    34   1    -0.10   0.01   0.27     0.09  -0.01  -0.24     0.12  -0.02  -0.33
    35   1    -0.10   0.26   0.02     0.11  -0.23  -0.02     0.15  -0.33  -0.03
    36   1     0.07   0.07   0.26    -0.07  -0.07  -0.25     0.08   0.08   0.30
    37   1    -0.08   0.27   0.02     0.05  -0.27  -0.02    -0.08   0.32   0.03
                     79                     80                     81
                      A                      A                      A
 Frequencies --   1659.4543              1667.5236              1668.0859
 Red. masses --      1.0788                 1.0780                 1.0776
 Frc consts  --      1.7504                 1.7660                 1.7667
 IR Inten    --      0.3598                31.2951                32.9982
 RamAct Fr= 1--      3.1734                 5.2308                 4.9749
  Dep-P Fr= 1--      0.7332                 0.7499                 0.7500
  Dep-U Fr= 1--      0.8461                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0009                 0.0000                 0.0000
 Beta2  Fr= 1--      0.4475                 0.7472                 0.7107
 AlphaG Fr= 1--     -0.0184                -0.0001                -0.0000
 Gamma2 Fr= 1--     -9.3979                 4.0133                 3.7866
 Delta2 Fr= 1--     -4.1164                 0.0164                -0.1282
 Raman1 Fr= 1--      12.694                 20.923                 19.900
 ROA1   Fr= 1--   -1033.919                385.798                359.415
 CID1   Fr= 1--     -81.451                 18.439                 18.061
 Raman2 Fr= 1--       5.370                  8.967                  8.528
 ROA2   Fr= 1--    -192.617                 96.187                 91.905
 CID2   Fr= 1--     -35.870                 10.727                 10.776
 Raman3 Fr= 1--      10.740                 17.933                 17.057
 ROA3   Fr= 1--   -1033.919                385.798                359.415
 CID3   Fr= 1--     -96.272                 21.513                 21.072
 RC180  Fr= 1--       0.692                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.01
     2   6     0.00   0.00   0.01     0.00   0.00   0.01     0.00   0.00   0.01
     3   7     0.02  -0.01   0.02     0.03  -0.02   0.02     0.01  -0.00   0.01
     4  45    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     5   7    -0.03  -0.00  -0.02     0.01   0.00   0.01    -0.03  -0.01  -0.02
     6   7     0.01  -0.01  -0.01    -0.01   0.02   0.02    -0.02   0.02   0.02
     7   6     0.00  -0.00  -0.01     0.00   0.00   0.01     0.00   0.00   0.00
     8   6    -0.00   0.00   0.01     0.00  -0.00  -0.01    -0.00   0.00   0.00
     9   7     0.00   0.02   0.02    -0.00  -0.02  -0.02     0.00   0.02   0.02
    10   7    -0.02  -0.01   0.02     0.01   0.00  -0.01     0.03   0.01  -0.03
    11   6    -0.00  -0.00   0.01     0.00   0.00   0.00     0.00   0.00  -0.01
    12   6     0.00   0.00  -0.01     0.00   0.00  -0.01    -0.00   0.00   0.00
    13   7     0.01   0.02  -0.02     0.01   0.03  -0.02    -0.00  -0.00   0.00
    14   1    -0.01   0.00  -0.01     0.01  -0.00   0.02    -0.01  -0.01  -0.00
    15   1     0.00  -0.01  -0.01    -0.01   0.01   0.01     0.00   0.00   0.00
    16   1    -0.01  -0.01   0.01     0.01   0.01  -0.02     0.01   0.00  -0.01
    17   1    -0.00   0.01   0.02    -0.01  -0.01  -0.01    -0.00   0.00  -0.00
    18   1     0.00  -0.02  -0.02    -0.01  -0.00  -0.01    -0.01   0.01   0.02
    19   1    -0.00   0.02  -0.02     0.00   0.01  -0.01     0.00  -0.01   0.01
    20   1     0.02   0.00   0.02     0.01  -0.01   0.01    -0.01  -0.01  -0.01
    21   1    -0.02  -0.00   0.02    -0.01   0.00   0.01     0.01   0.00  -0.01
    22   1     0.01   0.01  -0.02     0.00   0.02  -0.01     0.01   0.00  -0.01
    23   1    -0.01  -0.01  -0.02    -0.00  -0.01  -0.00    -0.01  -0.00  -0.01
    24   1    -0.01   0.01   0.02    -0.01  -0.01   0.00    -0.00   0.02   0.02
    25   1     0.01  -0.01   0.02     0.01  -0.00   0.01     0.01  -0.01   0.01
    26   1     0.06   0.06   0.32    -0.03  -0.03  -0.18     0.07   0.07   0.34
    27   1     0.33  -0.04   0.03    -0.18   0.03  -0.02     0.36  -0.03   0.03
    28   1    -0.03   0.07  -0.29    -0.04   0.10  -0.36    -0.01   0.03  -0.08
    29   1    -0.29   0.07  -0.03    -0.36   0.11  -0.03    -0.08   0.04  -0.01
    30   1     0.02  -0.07   0.28     0.03  -0.10   0.37    -0.01   0.01  -0.03
    31   1    -0.18  -0.23   0.03    -0.22  -0.32   0.03     0.01   0.03  -0.00
    32   1     0.09  -0.01  -0.31    -0.03   0.00   0.12    -0.11   0.02   0.39
    33   1     0.23   0.23  -0.03    -0.08  -0.09   0.01    -0.30  -0.27   0.03
    34   1    -0.05   0.02   0.21     0.07  -0.01  -0.23     0.08  -0.02  -0.32
    35   1    -0.08   0.20   0.02     0.11  -0.22  -0.02     0.14  -0.31  -0.03
    36   1    -0.03  -0.05  -0.23     0.06   0.07   0.29    -0.05  -0.06  -0.28
    37   1     0.07  -0.23  -0.02    -0.06   0.30   0.02     0.07  -0.29  -0.02
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3071.0024              3071.1302              3071.5942
 Red. masses --      1.0632                 1.0632                 1.0630
 Frc consts  --      5.9078                 5.9081                 5.9089
 IR Inten    --      5.9240                 5.1293                 5.3972
 RamAct Fr= 1--    177.3181               235.1913               226.3530
  Dep-P Fr= 1--      0.0424                 0.0320                 0.0337
  Dep-U Fr= 1--      0.0813                 0.0621                 0.0652
 Alpha2 Fr= 1--      3.5666                 4.8479                 4.6477
 Beta2  Fr= 1--      2.4032                 2.4337                 2.4582
 AlphaG Fr= 1--      0.0927                 0.1271                 0.1123
 Gamma2 Fr= 1--      9.6836                 0.1809                 1.9326
 Delta2 Fr= 1--      8.2254                 2.3366                 3.4119
 Raman1 Fr= 1--     709.272                940.765                905.412
 ROA1   Fr= 1--    1192.839                 92.136                294.708
 CID1   Fr= 1--       1.682                  0.098                  0.325
 Raman2 Fr= 1--      28.839                 29.204                 29.498
 ROA2   Fr= 1--     166.603                -14.352                 19.087
 CID2   Fr= 1--       5.777                 -0.491                  0.647
 Raman3 Fr= 1--      57.677                 58.409                 58.996
 ROA3   Fr= 1--    1192.839                 92.136                294.708
 CID3   Fr= 1--      20.681                  1.577                  4.995
 RC180  Fr= 1--      -0.837                 -0.876                 -0.870
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.03  -0.02   0.03
     2   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.02  -0.03  -0.03
     3   7    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     4  45    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     5   7     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     6   7    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     7   6     0.00  -0.00   0.00     0.03  -0.02   0.03     0.00  -0.00   0.00
     8   6     0.00   0.00  -0.00     0.01   0.03  -0.03     0.00   0.00  -0.00
     9   7    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    10   7    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    11   6     0.03   0.00   0.03    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    12   6     0.00  -0.04  -0.04    -0.00   0.00   0.00    -0.00   0.00   0.00
    13   7     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    14   1    -0.03   0.01   0.01    -0.34   0.10   0.11    -0.01   0.00   0.00
    15   1     0.01  -0.04   0.02     0.16  -0.49   0.26     0.00  -0.01   0.01
    16   1    -0.02  -0.02  -0.01    -0.22  -0.30  -0.12    -0.00  -0.00  -0.00
    17   1    -0.01   0.04  -0.02    -0.18   0.51  -0.28    -0.00   0.01  -0.00
    18   1    -0.08   0.33  -0.11     0.01  -0.03   0.01     0.00  -0.00   0.00
    19   1    -0.34  -0.38  -0.26     0.03   0.03   0.02     0.00   0.00   0.00
    20   1    -0.38   0.04   0.12     0.03  -0.00  -0.01     0.01  -0.00  -0.00
    21   1     0.36   0.42   0.28    -0.03  -0.03  -0.02    -0.01  -0.01  -0.00
    22   1     0.00   0.00   0.00    -0.01  -0.01  -0.00     0.27   0.25   0.11
    23   1    -0.00   0.00   0.00     0.01  -0.00  -0.01    -0.51   0.11   0.27
    24   1    -0.00   0.01  -0.00     0.00  -0.01   0.00    -0.15   0.34  -0.12
    25   1     0.01  -0.00  -0.00    -0.01   0.00   0.00     0.52  -0.10  -0.27
    26   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01   0.00  -0.00
    27   1    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    28   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.01   0.00   0.00
    29   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    30   1    -0.01  -0.01   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    31   1     0.00  -0.01  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    32   1     0.00   0.01  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    33   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    34   1     0.00  -0.00   0.00     0.00  -0.01  -0.00    -0.00  -0.00  -0.00
    35   1     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    36   1    -0.00   0.00   0.00    -0.01   0.01   0.00    -0.00  -0.00   0.00
    37   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3076.0315              3076.1921              3076.4755
 Red. masses --      1.0604                 1.0604                 1.0604
 Frc consts  --      5.9113                 5.9121                 5.9131
 IR Inten    --      3.5265                11.1498                10.0478
 RamAct Fr= 1--     12.8522                59.7204                53.8423
  Dep-P Fr= 1--      0.6913                 0.7499                 0.7500
  Dep-U Fr= 1--      0.8175                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0132                 0.0001                 0.0000
 Beta2  Fr= 1--      1.7511                 8.5310                 7.6916
 AlphaG Fr= 1--     -0.0001                 0.0000                -0.0000
 Gamma2 Fr= 1--     -1.7187                -8.4329                -7.5997
 Delta2 Fr= 1--     -1.5894                -7.6905                -6.8506
 Raman1 Fr= 1--      51.409                238.882                215.369
 ROA1   Fr= 1--    -215.858              -1055.659               -948.794
 CID1   Fr= 1--      -4.199                 -4.419                 -4.405
 Raman2 Fr= 1--      21.013                102.371                 92.300
 ROA2   Fr= 1--     -28.534               -140.866               -127.589
 CID2   Fr= 1--      -1.358                 -1.376                 -1.382
 Raman3 Fr= 1--      42.026                204.743                184.599
 ROA3   Fr= 1--    -215.858              -1055.659               -948.794
 CID3   Fr= 1--      -5.136                 -5.156                 -5.140
 RC180  Fr= 1--       0.635                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01   0.01    -0.00  -0.00   0.00    -0.02  -0.03   0.03
     2   6    -0.00   0.01   0.01    -0.00   0.00   0.00    -0.01   0.04   0.03
     3   7     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     4  45     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     5   7     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     6   7     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   6     0.02  -0.00   0.02     0.03  -0.00   0.03    -0.01   0.00  -0.01
     8   6    -0.01  -0.01   0.02    -0.02  -0.02   0.03     0.00   0.00  -0.01
     9   7    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    10   7    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    11   6     0.03  -0.01   0.03    -0.02   0.01  -0.02    -0.00   0.00  -0.00
    12   6    -0.01   0.03   0.03     0.01  -0.02  -0.02     0.00  -0.00  -0.00
    13   7    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    14   1     0.24  -0.07  -0.08     0.40  -0.12  -0.13    -0.08   0.02   0.02
    15   1    -0.07   0.22  -0.12    -0.12   0.36  -0.20     0.02  -0.07   0.04
    16   1    -0.15  -0.20  -0.07    -0.24  -0.32  -0.12     0.05   0.07   0.03
    17   1    -0.07   0.21  -0.11    -0.11   0.33  -0.18     0.02  -0.07   0.04
    18   1    -0.10   0.41  -0.13     0.06  -0.26   0.08     0.02  -0.07   0.02
    19   1    -0.25  -0.29  -0.20     0.16   0.18   0.13     0.04   0.05   0.03
    20   1     0.38  -0.04  -0.12    -0.25   0.03   0.08    -0.06   0.01   0.02
    21   1    -0.22  -0.26  -0.18     0.15   0.17   0.12     0.04   0.04   0.03
    22   1    -0.07  -0.07  -0.03    -0.02  -0.02  -0.01    -0.35  -0.33  -0.15
    23   1     0.09  -0.02  -0.05     0.03  -0.01  -0.01     0.42  -0.08  -0.22
    24   1    -0.04   0.09  -0.03    -0.02   0.03  -0.01    -0.19   0.43  -0.14
    25   1     0.09  -0.02  -0.05     0.03  -0.01  -0.02     0.41  -0.08  -0.22
    26   1    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    27   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.01
    28   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    29   1    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.01
    30   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    31   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    32   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    33   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    34   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    35   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    36   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    37   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
                     88                     89                     90
                      A                      A                      A
 Frequencies --   3116.6589              3116.7471              3116.9752
 Red. masses --      1.1078                 1.1079                 1.1080
 Frc consts  --      6.3401                 6.3408                 6.3426
 IR Inten    --     11.5299                10.4188                 1.2212
 RamAct Fr= 1--    118.6213               123.2759               159.9096
  Dep-P Fr= 1--      0.7336                 0.6194                 0.1282
  Dep-U Fr= 1--      0.8463                 0.7650                 0.2272
 Alpha2 Fr= 1--      0.0333                 0.2946                 2.6116
 Beta2  Fr= 1--     16.7321                15.7172                 6.0554
 AlphaG Fr= 1--     -0.0193                -0.1684                -1.5275
 Gamma2 Fr= 1--    -18.5042                -7.7875                91.9612
 Delta2 Fr= 1--    -30.2201               -21.1863                62.4478
 Raman1 Fr= 1--     474.485                493.104                639.638
 ROA1   Fr= 1--   -2743.448              -1425.565              10826.605
 CID1   Fr= 1--      -5.782                 -2.891                 16.926
 Raman2 Fr= 1--     200.786                188.606                 72.665
 ROA2   Fr= 1--    -202.340                -17.410               1707.487
 CID2   Fr= 1--      -1.008                 -0.092                 23.498
 Raman3 Fr= 1--     401.571                377.213                145.330
 ROA3   Fr= 1--   -2743.448              -1425.565              10826.605
 CID3   Fr= 1--      -6.832                 -3.779                 74.497
 RC180  Fr= 1--       0.693                  0.530                 -0.546
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.03  -0.03   0.00     0.04  -0.04   0.00
     2   6     0.01   0.00   0.00    -0.04  -0.02  -0.00    -0.05  -0.02  -0.00
     3   7    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     4  45     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     5   7     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     6   7     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   6    -0.01  -0.04  -0.00    -0.01  -0.05  -0.00     0.01   0.03   0.00
     8   6    -0.03   0.02   0.00    -0.04   0.03   0.00     0.02  -0.02  -0.00
     9   7     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    10   7    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    11   6     0.01   0.05  -0.00    -0.00  -0.03   0.00     0.00   0.03  -0.00
    12   6    -0.05  -0.01   0.00     0.03   0.01  -0.00    -0.03  -0.01   0.00
    13   7     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    14   1     0.30  -0.08  -0.10     0.38  -0.10  -0.13    -0.24   0.07   0.08
    15   1     0.05  -0.18   0.10     0.07  -0.22   0.12    -0.04   0.14  -0.08
    16   1     0.19   0.25   0.10     0.24   0.32   0.13    -0.15  -0.20  -0.08
    17   1    -0.06   0.17  -0.10    -0.08   0.22  -0.13     0.05  -0.14   0.08
    18   1     0.12  -0.45   0.15    -0.06   0.22  -0.08     0.05  -0.21   0.07
    19   1    -0.18  -0.20  -0.14     0.09   0.10   0.07    -0.09  -0.09  -0.07
    20   1     0.47  -0.06  -0.16    -0.23   0.03   0.08     0.22  -0.03  -0.07
    21   1     0.17   0.21   0.15    -0.09  -0.10  -0.07     0.08   0.10   0.07
    22   1    -0.03  -0.03  -0.02     0.23   0.23   0.11     0.32   0.32   0.15
    23   1    -0.03   0.01   0.02     0.19  -0.04  -0.10     0.26  -0.06  -0.14
    24   1     0.02  -0.05   0.02    -0.13   0.30  -0.11    -0.18   0.42  -0.15
    25   1     0.03  -0.01  -0.02    -0.19   0.03   0.10    -0.27   0.05   0.14
    26   1    -0.00   0.00   0.00     0.01  -0.00  -0.00     0.01  -0.01  -0.00
    27   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    28   1     0.00  -0.00  -0.00    -0.01  -0.00   0.00    -0.01  -0.00   0.00
    29   1     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    30   1    -0.01  -0.01  -0.00     0.01   0.00   0.00    -0.01  -0.00  -0.00
    31   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    32   1     0.01   0.01   0.00    -0.00  -0.01  -0.00     0.00   0.01   0.00
    33   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    34   1     0.00  -0.01   0.00    -0.00  -0.01   0.00     0.00   0.01  -0.00
    35   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    36   1    -0.01   0.01  -0.00    -0.01   0.01  -0.00     0.00  -0.00   0.00
    37   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
                     91                     92                     93
                      A                      A                      A
 Frequencies --   3127.2569              3127.3503              3127.6214
 Red. masses --      1.1101                 1.1102                 1.1101
 Frc consts  --      6.3967                 6.3972                 6.3980
 IR Inten    --      1.0789                 3.9465                 4.4449
 RamAct Fr= 1--     64.4145                41.2565                36.4703
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      9.2021                 5.8938                 5.2100
 AlphaG Fr= 1--      0.0000                -0.0000                -0.0000
 Gamma2 Fr= 1--    -41.9756               -26.8622               -23.9501
 Delta2 Fr= 1--     -5.9408                -3.8151                -3.3955
 Raman1 Fr= 1--     257.658                165.026                145.881
 ROA1   Fr= 1--   -4219.761              -2700.851              -2407.865
 CID1   Fr= 1--     -16.377                -16.366                -16.506
 Raman2 Fr= 1--     110.425                 70.725                 62.521
 ROA2   Fr= 1--    -959.887               -614.171               -547.638
 CID2   Fr= 1--      -8.693                 -8.684                 -8.759
 Raman3 Fr= 1--     220.850                141.451                125.041
 ROA3   Fr= 1--   -4219.761              -2700.851              -2407.865
 CID3   Fr= 1--     -19.107                -19.094                -19.257
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.01   0.01   0.00    -0.05   0.04   0.01
     2   6    -0.00  -0.00   0.00    -0.01  -0.00   0.00    -0.06  -0.02   0.01
     3   7     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     4  45    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     5   7     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     6   7    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     7   6    -0.00  -0.02   0.00     0.01   0.06  -0.01    -0.00  -0.01   0.00
     8   6     0.02  -0.02   0.00    -0.05   0.04  -0.01     0.01  -0.01   0.00
     9   7    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    10   7     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    11   6    -0.02  -0.06  -0.01    -0.01  -0.02  -0.00     0.00   0.01   0.00
    12   6    -0.06  -0.02  -0.01    -0.02  -0.01  -0.00     0.01   0.00   0.00
    13   7     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    14   1    -0.16   0.04   0.05     0.42  -0.11  -0.14    -0.05   0.01   0.02
    15   1    -0.05   0.15  -0.08     0.13  -0.40   0.23    -0.02   0.05  -0.03
    16   1     0.10   0.13   0.05    -0.26  -0.34  -0.14     0.03   0.04   0.02
    17   1    -0.05   0.14  -0.08     0.14  -0.39   0.22    -0.02   0.05  -0.03
    18   1    -0.11   0.42  -0.15    -0.04   0.15  -0.05     0.01  -0.04   0.01
    19   1     0.28   0.31   0.23     0.10   0.11   0.08    -0.03  -0.03  -0.02
    20   1     0.43  -0.05  -0.14     0.15  -0.02  -0.05    -0.05   0.01   0.02
    21   1     0.26   0.32   0.22     0.09   0.11   0.08    -0.03  -0.03  -0.02
    22   1     0.02   0.01   0.01     0.05   0.05   0.02     0.32   0.32   0.15
    23   1     0.02  -0.00  -0.01     0.06  -0.01  -0.04     0.43  -0.10  -0.24
    24   1     0.01  -0.02   0.01     0.02  -0.06   0.02     0.18  -0.42   0.15
    25   1     0.02  -0.00  -0.01     0.06  -0.01  -0.03     0.43  -0.08  -0.24
    26   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.01   0.01   0.01
    27   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    28   1    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.02  -0.00   0.01
    29   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    30   1    -0.01  -0.01  -0.01    -0.01  -0.00  -0.00     0.00  -0.00   0.00
    31   1     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    32   1    -0.00  -0.02  -0.01    -0.00  -0.01  -0.00     0.00   0.00   0.00
    33   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    34   1     0.00  -0.01   0.00     0.00   0.02  -0.01    -0.00  -0.00   0.00
    35   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    36   1     0.00  -0.00   0.00    -0.01   0.01  -0.01     0.00  -0.00   0.00
    37   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
                     94                     95                     96
                      A                      A                      A
 Frequencies --   3431.9158              3432.0260              3433.1910
 Red. masses --      1.0523                 1.0523                 1.0528
 Frc consts  --      7.3022                 7.3027                 7.3109
 IR Inten    --     50.8998                48.8915                72.3742
 RamAct Fr= 1--     10.2600                 9.5715                 7.3246
  Dep-P Fr= 1--      0.6811                 0.7477                 0.7500
  Dep-U Fr= 1--      0.8103                 0.8557                 0.8571
 Alpha2 Fr= 1--      0.0125                 0.0004                 0.0000
 Beta2  Fr= 1--      1.3856                 1.3650                 1.0464
 AlphaG Fr= 1--      0.0026                 0.0003                -0.0000
 Gamma2 Fr= 1--     12.8259                12.5920                -2.9335
 Delta2 Fr= 1--      0.8558                 0.4054                 0.0711
 Raman1 Fr= 1--      41.040                 38.286                 29.298
 ROA1   Fr= 1--    1258.671               1221.807               -279.337
 CID1   Fr= 1--      30.669                 31.913                 -9.534
 Raman2 Fr= 1--      16.627                 16.380                 12.556
 ROA2   Fr= 1--     300.974                298.965                -70.972
 CID2   Fr= 1--      18.102                 18.252                 -5.652
 Raman3 Fr= 1--      33.254                 32.760                 25.113
 ROA3   Fr= 1--    1258.671               1221.807               -279.337
 CID3   Fr= 1--      37.850                 37.296                -11.123
 RC180  Fr= 1--       0.621                  0.711                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     3   7    -0.03   0.01  -0.02     0.00  -0.00   0.00    -0.03   0.01  -0.02
     4  45    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   7     0.00  -0.00   0.00    -0.03   0.00  -0.02    -0.02   0.00  -0.01
     6   7     0.01  -0.02  -0.02    -0.00   0.01   0.01    -0.00   0.00   0.00
     7   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     8   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     9   7    -0.00   0.01   0.01    -0.01   0.02   0.02     0.00  -0.00  -0.00
    10   7    -0.01  -0.01   0.01     0.02   0.02  -0.02     0.01   0.01  -0.01
    11   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    12   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    13   7    -0.01  -0.02   0.02    -0.01  -0.01   0.01     0.02   0.02  -0.02
    14   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    15   1     0.00  -0.00   0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00
    16   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    17   1    -0.00   0.01  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    18   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    19   1     0.00   0.00   0.00    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00
    20   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.00   0.00
    21   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.01  -0.00
    22   1     0.00   0.00   0.00     0.00   0.00   0.00     0.01   0.00   0.00
    23   1     0.01  -0.00  -0.00    -0.00   0.00   0.00     0.01  -0.00  -0.00
    24   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    25   1    -0.00   0.00   0.00     0.01  -0.00  -0.00     0.00  -0.00  -0.00
    26   1    -0.05   0.02   0.01     0.41  -0.13  -0.08     0.26  -0.08  -0.05
    27   1     0.01  -0.01  -0.04    -0.05   0.07   0.37    -0.03   0.04   0.23
    28   1     0.46  -0.04  -0.09    -0.06   0.01   0.01     0.48  -0.04  -0.09
    29   1    -0.08  -0.05   0.41     0.01   0.01  -0.05    -0.08  -0.05   0.41
    30   1     0.24   0.22   0.06     0.21   0.19   0.05    -0.35  -0.32  -0.09
    31   1    -0.06  -0.01  -0.28    -0.05  -0.01  -0.25     0.09   0.01   0.40
    32   1     0.10   0.14   0.03    -0.22  -0.32  -0.07    -0.08  -0.11  -0.03
    33   1     0.00  -0.03  -0.15    -0.00   0.07   0.34    -0.00   0.02   0.11
    34   1    -0.08   0.35  -0.07     0.03  -0.15   0.03     0.01  -0.07   0.01
    35   1    -0.03  -0.06   0.31     0.01   0.03  -0.13     0.01   0.01  -0.07
    36   1     0.10  -0.22   0.05     0.14  -0.29   0.06    -0.02   0.05  -0.01
    37   1    -0.04   0.02  -0.22    -0.05   0.03  -0.28     0.01  -0.00   0.03
                     97                     98                     99
                      A                      A                      A
 Frequencies --   3433.3452              3433.4408              3435.2884
 Red. masses --      1.0530                 1.0528                 1.0527
 Frc consts  --      7.3130                 7.3126                 7.3198
 IR Inten    --     16.8195                53.0647                 0.1413
 RamAct Fr= 1--     14.5923                 9.7812               417.0746
  Dep-P Fr= 1--      0.7423                 0.7150                 0.0037
  Dep-U Fr= 1--      0.8521                 0.8338                 0.0074
 Alpha2 Fr= 1--      0.0019                 0.0059                 9.1887
 Beta2  Fr= 1--      2.0723                 1.3593                 0.5117
 AlphaG Fr= 1--      0.0007                 0.0021                 2.4525
 Gamma2 Fr= 1--     -6.2421                -4.3581               -13.1022
 Delta2 Fr= 1--     -0.1392                -0.2566                -1.2303
 Raman1 Fr= 1--      58.369                 39.125               1668.298
 ROA1   Fr= 1--    -603.690               -426.592              -1297.179
 CID1   Fr= 1--     -10.343                -10.903                 -0.778
 Raman2 Fr= 1--      24.867                 16.311                  6.140
 ROA2   Fr= 1--    -148.696               -102.542               -304.610
 CID2   Fr= 1--      -5.980                 -6.286                -49.611
 Raman3 Fr= 1--      49.735                 32.623                 12.280
 ROA3   Fr= 1--    -603.690               -426.592              -1297.179
 CID3   Fr= 1--     -12.138                -13.076               -105.633
 RC180  Fr= 1--       0.704                  0.668                 -0.985
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     3   7    -0.00   0.00  -0.00     0.01  -0.00   0.01     0.02  -0.00   0.01
     4  45     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     5   7    -0.03   0.00  -0.02     0.00  -0.00   0.00    -0.02   0.00  -0.01
     6   7     0.00  -0.00  -0.00     0.01  -0.03  -0.03     0.01  -0.02  -0.01
     7   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     8   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     9   7     0.01  -0.03  -0.02     0.00  -0.01  -0.01    -0.01   0.02   0.02
    10   7    -0.01  -0.01   0.01     0.02   0.02  -0.02    -0.01  -0.01   0.01
    11   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    12   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    13   7    -0.01  -0.01   0.01     0.00   0.00  -0.00     0.01   0.01  -0.01
    14   1    -0.01   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    15   1    -0.00   0.01  -0.00    -0.00   0.00  -0.00     0.00  -0.01   0.00
    16   1     0.00   0.00   0.00     0.00   0.01   0.00     0.00   0.00   0.00
    17   1     0.00  -0.00   0.00    -0.00   0.01  -0.00    -0.00   0.00  -0.00
    18   1    -0.00   0.00  -0.00     0.00  -0.01   0.00     0.00   0.00  -0.00
    19   1     0.00   0.00   0.00    -0.01  -0.01  -0.00     0.00   0.00   0.00
    20   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    21   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    22   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    23   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    24   1     0.00  -0.01   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    25   1     0.01  -0.00  -0.00    -0.00  -0.00  -0.00     0.01  -0.00  -0.00
    26   1     0.43  -0.14  -0.08    -0.01   0.00   0.00     0.29  -0.09  -0.06
    27   1    -0.05   0.07   0.38     0.00  -0.00  -0.02    -0.03   0.04   0.25
    28   1     0.01  -0.00  -0.00    -0.10   0.01   0.02    -0.29   0.02   0.05
    29   1    -0.00  -0.00   0.01     0.02   0.01  -0.10     0.04   0.03  -0.24
    30   1     0.17   0.16   0.04    -0.05  -0.04  -0.01    -0.22  -0.20  -0.06
    31   1    -0.04  -0.00  -0.21     0.01   0.00   0.04     0.05   0.01   0.24
    32   1     0.14   0.20   0.05    -0.25  -0.36  -0.08     0.18   0.26   0.06
    33   1     0.00  -0.05  -0.22    -0.00   0.08   0.37     0.00  -0.06  -0.26
    34   1    -0.01   0.05  -0.01    -0.12   0.54  -0.10    -0.07   0.30  -0.06
    35   1    -0.00  -0.01   0.04    -0.04  -0.09   0.46    -0.02  -0.05   0.25
    36   1    -0.20   0.43  -0.09    -0.09   0.20  -0.04     0.14  -0.30   0.06
    37   1     0.08  -0.04   0.41     0.04  -0.02   0.18    -0.05   0.03  -0.27
                    100                    101                    102
                      A                      A                      A
 Frequencies --   3480.5121              3480.6768              3481.2609
 Red. masses --      1.0928                 1.0928                 1.0928
 Frc consts  --      7.8000                 7.8001                 7.8028
 IR Inten    --      5.8664                11.4175                17.3769
 RamAct Fr= 1--      4.4649                 2.1229                10.9971
  Dep-P Fr= 1--      0.7493                 0.7497                 0.7481
  Dep-U Fr= 1--      0.8567                 0.8570                 0.8559
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0003
 Beta2  Fr= 1--      0.6375                 0.3032                 1.5688
 AlphaG Fr= 1--     -0.0004                -0.0000                -0.0021
 Gamma2 Fr= 1--     -9.1345                -5.3668                -2.8908
 Delta2 Fr= 1--      0.4543                -0.4463                11.8046
 Raman1 Fr= 1--      17.860                  8.492                 43.988
 ROA1   Fr= 1--    -862.369               -529.496                100.233
 CID1   Fr= 1--     -48.286                -62.354                  2.279
 Raman2 Fr= 1--       7.650                  3.639                 18.825
 ROA2   Fr= 1--    -222.862               -125.233               -163.815
 CID2   Fr= 1--     -29.133                -34.419                 -8.702
 Raman3 Fr= 1--      15.299                  7.277                 37.651
 ROA3   Fr= 1--    -862.369               -529.496                100.233
 CID3   Fr= 1--     -56.366                -72.762                  2.662
 RC180  Fr= 1--       0.713                  0.714                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     2   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     3   7     0.03   0.00  -0.04    -0.02  -0.00   0.02    -0.03  -0.00   0.03
     4  45    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     5   7    -0.02   0.01   0.02    -0.02   0.01   0.03    -0.01   0.01   0.02
     6   7     0.00  -0.01   0.01    -0.00   0.02  -0.03     0.00  -0.02   0.02
     7   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     9   7     0.01  -0.02   0.03     0.01  -0.01   0.02    -0.01   0.02  -0.02
    10   7     0.00   0.00   0.01    -0.01  -0.03  -0.03     0.00   0.00   0.00
    11   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    12   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    13   7    -0.02  -0.02  -0.03     0.00   0.00   0.00    -0.03  -0.02  -0.04
    14   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    15   1    -0.00   0.01  -0.00    -0.00   0.01  -0.00     0.00  -0.01   0.00
    16   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    17   1    -0.00   0.00  -0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00
    18   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    19   1    -0.00  -0.00  -0.00     0.01   0.01   0.01     0.00   0.00   0.00
    20   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    21   1     0.01   0.01   0.01    -0.00  -0.00  -0.00     0.01   0.01   0.01
    22   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    23   1    -0.01   0.00   0.01     0.01  -0.00  -0.00     0.01  -0.00  -0.01
    24   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    25   1     0.01  -0.00  -0.00     0.01  -0.00  -0.01     0.01  -0.00  -0.00
    26   1     0.23  -0.07  -0.03     0.31  -0.10  -0.05     0.19  -0.06  -0.03
    27   1     0.02  -0.04  -0.28     0.03  -0.06  -0.38     0.02  -0.03  -0.22
    28   1    -0.40   0.03   0.06     0.20  -0.02  -0.03     0.32  -0.03  -0.05
    29   1    -0.06  -0.05   0.45     0.03   0.03  -0.23     0.05   0.04  -0.36
    30   1     0.25   0.23   0.05    -0.02  -0.02  -0.00     0.31   0.28   0.06
    31   1     0.07  -0.00   0.39    -0.01   0.00  -0.03     0.08  -0.00   0.47
    32   1    -0.03  -0.05  -0.01     0.21   0.30   0.05    -0.01  -0.01  -0.00
    33   1     0.00  -0.01  -0.07    -0.01   0.07   0.42     0.00  -0.00  -0.01
    34   1    -0.02   0.08  -0.01     0.06  -0.29   0.04    -0.04   0.18  -0.03
    35   1     0.01   0.01  -0.10    -0.03  -0.05   0.34     0.02   0.03  -0.22
    36   1    -0.12   0.26  -0.04    -0.09   0.19  -0.03     0.12  -0.25   0.04
    37   1    -0.05   0.02  -0.32    -0.04   0.01  -0.24     0.05  -0.02   0.30
                    103                    104                    105
                      A                      A                      A
 Frequencies --   3481.4209              3482.6859              3483.3025
 Red. masses --      1.0927                 1.0926                 1.0920
 Frc consts  --      7.8030                 7.8077                 7.8068
 IR Inten    --     22.6433               144.8284                 0.2839
 RamAct Fr= 1--      8.6936                 0.2339               129.2189
  Dep-P Fr= 1--      0.7496                 0.6142                 0.6926
  Dep-U Fr= 1--      0.8569                 0.7610                 0.8184
 Alpha2 Fr= 1--      0.0001                 0.0006                 0.1299
 Beta2  Fr= 1--      1.2415                 0.0297                17.6248
 AlphaG Fr= 1--     -0.0008                -0.0016                -0.6811
 Gamma2 Fr= 1--      0.6242                 0.0603                28.2450
 Delta2 Fr= 1--     10.9612                -0.0269               -27.5772
 Raman1 Fr= 1--      34.774                  0.935                516.875
 ROA1   Fr= 1--     410.682                  4.923               1829.050
 CID1   Fr= 1--      11.810                  5.262                  3.539
 Raman2 Fr= 1--      14.898                  0.356                211.497
 ROA2   Fr= 1--     -72.709                  1.661                898.498
 CID2   Fr= 1--      -4.880                  4.668                  4.248
 Raman3 Fr= 1--      29.797                  0.712                422.995
 ROA3   Fr= 1--     410.682                  4.923               1829.050
 CID3   Fr= 1--      13.783                  6.915                  4.324
 RC180  Fr= 1--       0.714                  0.522                  0.637
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     2   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     3   7    -0.01  -0.00   0.01     0.02   0.00  -0.02     0.02   0.00  -0.02
     4  45    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     5   7     0.02  -0.01  -0.03     0.02  -0.01  -0.02    -0.02   0.01   0.02
     6   7     0.00  -0.03   0.03    -0.00   0.02  -0.03     0.00  -0.02   0.03
     7   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     9   7     0.01  -0.02   0.02    -0.01   0.02  -0.03    -0.01   0.02  -0.03
    10   7    -0.01  -0.03  -0.03    -0.01  -0.02  -0.03    -0.01  -0.02  -0.03
    11   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    12   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    13   7    -0.01  -0.00  -0.01    -0.02  -0.01  -0.03     0.02   0.01   0.02
    14   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    15   1    -0.00   0.01  -0.00     0.00  -0.01   0.00     0.00  -0.01   0.00
    16   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    17   1    -0.00   0.01  -0.01     0.00  -0.01   0.01    -0.00   0.01  -0.00
    18   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    19   1     0.01   0.01   0.01     0.01   0.00   0.00     0.01   0.01   0.00
    20   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    21   1     0.00   0.00   0.00     0.00   0.01   0.00    -0.00  -0.00  -0.00
    22   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    23   1     0.00  -0.00  -0.00    -0.01   0.00   0.00    -0.01   0.00   0.00
    24   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    25   1    -0.01   0.00   0.00    -0.01   0.00   0.00     0.01  -0.00  -0.00
    26   1    -0.30   0.10   0.04    -0.22   0.07   0.03     0.22  -0.07  -0.03
    27   1    -0.03   0.05   0.36    -0.02   0.05   0.29     0.02  -0.04  -0.28
    28   1     0.10  -0.01  -0.01    -0.22   0.02   0.03    -0.23   0.02   0.03
    29   1     0.01   0.01  -0.11    -0.04  -0.03   0.26    -0.04  -0.03   0.28
    30   1     0.07   0.07   0.01     0.19   0.17   0.03    -0.17  -0.15  -0.03
    31   1     0.02  -0.00   0.11     0.05  -0.00   0.31    -0.05   0.00  -0.28
    32   1     0.20   0.29   0.05     0.15   0.21   0.04     0.16   0.23   0.04
    33   1    -0.01   0.07   0.40    -0.01   0.05   0.31    -0.01   0.06   0.34
    34   1    -0.07   0.33  -0.05     0.06  -0.29   0.04    -0.06   0.26  -0.04
    35   1     0.04   0.06  -0.38    -0.03  -0.05   0.37     0.03   0.05  -0.33
    36   1    -0.11   0.24  -0.04     0.11  -0.24   0.04     0.12  -0.25   0.04
    37   1    -0.05   0.02  -0.30     0.05  -0.02   0.31     0.05  -0.02   0.34

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  7 and mass  14.00307
 Atom     4 has atomic number 45 and mass 102.90480
 Atom     5 has atomic number  7 and mass  14.00307
 Atom     6 has atomic number  7 and mass  14.00307
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  7 and mass  14.00307
 Atom    10 has atomic number  7 and mass  14.00307
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  7 and mass  14.00307
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  1 and mass   1.00783
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Atom    34 has atomic number  1 and mass   1.00783
 Atom    35 has atomic number  1 and mass   1.00783
 Atom    36 has atomic number  1 and mass   1.00783
 Atom    37 has atomic number  1 and mass   1.00783
 Molecular mass:   283.11104 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  2615.131202615.504363783.53931
           X            0.99999   0.00483  -0.00000
           Y           -0.00483   0.99999  -0.00000
           Z            0.00000   0.00000   1.00000
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.03312     0.03312     0.02289
 Rotational constants (GHZ):           0.69011     0.69002     0.47700
 Zero-point vibrational energy     925907.1 (Joules/Mol)
                                  221.29712 (Kcal/Mol)
 Warning -- explicit consideration of  24 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    114.10   118.20   128.94   209.26   210.18
          (Kelvin)            240.74   313.12   316.45   324.91   362.40
                              416.54   417.44   448.76   477.78   478.85
                              578.84   579.97   580.63   664.81   665.82
                              727.66   752.77   803.41   804.57   972.86
                              973.22  1027.22  1079.69  1079.91  1097.59
                             1245.36  1245.43  1248.00  1252.85  1255.61
                             1255.78  1413.26  1414.68  1414.99  1434.21
                             1434.86  1452.72  1507.14  1507.27  1511.86
                             1594.83  1608.13  1609.00  1685.92  1686.46
                             1716.53  1763.58  1764.16  1794.26  1857.63
                             1857.67  1864.70  1916.23  1916.56  1930.01
                             1936.97  1940.13  1940.20  2020.80  2022.24
                             2022.50  2076.36  2076.80  2081.31  2162.01
                             2162.37  2162.52  2162.94  2163.31  2163.86
                             2365.02  2384.34  2385.20  2387.58  2399.19
                             2400.00  4418.49  4418.67  4419.34  4425.72
                             4425.95  4426.36  4484.18  4484.30  4484.63
                             4499.43  4499.56  4499.95  4937.76  4937.92
                             4939.60  4939.82  4939.96  4942.61  5007.68
                             5007.92  5008.76  5008.99  5010.81  5011.70
 
 Zero-point correction=                           0.352659 (Hartree/Particle)
 Thermal correction to Energy=                    0.367690
 Thermal correction to Enthalpy=                  0.368634
 Thermal correction to Gibbs Free Energy=         0.312034
 Sum of electronic and zero-point Energies=           -681.282277
 Sum of electronic and thermal Energies=              -681.267247
 Sum of electronic and thermal Enthalpies=            -681.266303
 Sum of electronic and thermal Free Energies=         -681.322903
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  230.729             60.543            119.125
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             42.820
 Rotational               0.889              2.981             31.626
 Vibrational            228.951             54.582             44.679
 Vibration     1          0.600              1.963              3.908
 Vibration     2          0.600              1.961              3.839
 Vibration     3          0.602              1.957              3.668
 Vibration     4          0.617              1.908              2.731
 Vibration     5          0.617              1.907              2.723
 Vibration     6          0.624              1.883              2.465
 Vibration     7          0.646              1.814              1.979
 Vibration     8          0.647              1.811              1.960
 Vibration     9          0.650              1.802              1.912
 Vibration    10          0.664              1.760              1.717
 Vibration    11          0.686              1.693              1.477
 Vibration    12          0.686              1.692              1.473
 Vibration    13          0.700              1.651              1.352
 Vibration    14          0.714              1.611              1.250
 Vibration    15          0.715              1.610              1.246
 Vibration    16          0.768              1.465              0.954
 Vibration    17          0.768              1.463              0.951
 Vibration    18          0.769              1.462              0.950
 Vibration    19          0.820              1.334              0.760
 Vibration    20          0.820              1.333              0.758
 Vibration    21          0.861              1.237              0.644
 Vibration    22          0.878              1.199              0.603
 Vibration    23          0.914              1.121              0.527
 Vibration    24          0.915              1.120              0.525
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.298277-143       -143.525381       -330.479402
 Total V=0       0.485893D+19         18.686540         43.027349
 Vib (Bot)       0.874804-158       -158.058089       -363.942200
 Vib (Bot)    1  0.259709D+01          0.414487          0.954391
 Vib (Bot)    2  0.250608D+01          0.398995          0.918721
 Vib (Bot)    3  0.229433D+01          0.360656          0.830441
 Vib (Bot)    4  0.139595D+01          0.144871          0.333577
 Vib (Bot)    5  0.138956D+01          0.142877          0.328988
 Vib (Bot)    6  0.120546D+01          0.081151          0.186857
 Vib (Bot)    7  0.909797D+00         -0.041056         -0.094534
 Vib (Bot)    8  0.899361D+00         -0.046066         -0.106071
 Vib (Bot)    9  0.873766D+00         -0.058605         -0.134943
 Vib (Bot)   10  0.774156D+00         -0.111172         -0.255982
 Vib (Bot)   11  0.660713D+00         -0.179987         -0.414435
 Vib (Bot)   12  0.659060D+00         -0.181075         -0.416941
 Vib (Bot)   13  0.605579D+00         -0.217829         -0.501570
 Vib (Bot)   14  0.561943D+00         -0.250308         -0.576356
 Vib (Bot)   15  0.560430D+00         -0.251479         -0.579051
 Vib (Bot)   16  0.442279D+00         -0.354303         -0.815814
 Vib (Bot)   17  0.441159D+00         -0.355405         -0.818349
 Vib (Bot)   18  0.440512D+00         -0.356042         -0.819817
 Vib (Bot)   19  0.367474D+00         -0.434773         -1.001102
 Vib (Bot)   20  0.366702D+00         -0.435687         -1.003207
 Vib (Bot)   21  0.323308D+00         -0.490384         -1.129150
 Vib (Bot)   22  0.307608D+00         -0.512003         -1.178930
 Vib (Bot)   23  0.278770D+00         -0.554754         -1.277369
 Vib (Bot)   24  0.278152D+00         -0.555717         -1.279586
 Vib (V=0)       0.142506D+05          4.153832          9.564552
 Vib (V=0)    1  0.314478D+01          0.497590          1.145744
 Vib (V=0)    2  0.305548D+01          0.485079          1.116935
 Vib (V=0)    3  0.284818D+01          0.454567          1.046680
 Vib (V=0)    4  0.198280D+01          0.297278          0.684508
 Vib (V=0)    5  0.197678D+01          0.295958          0.681469
 Vib (V=0)    6  0.180504D+01          0.256486          0.590581
 Vib (V=0)    7  0.153814D+01          0.186995          0.430572
 Vib (V=0)    8  0.152900D+01          0.184409          0.424617
 Vib (V=0)    9  0.150671D+01          0.178030          0.409929
 Vib (V=0)   10  0.142158D+01          0.152773          0.351772
 Vib (V=0)   11  0.132858D+01          0.123387          0.284109
 Vib (V=0)   12  0.132726D+01          0.122956          0.283117
 Vib (V=0)   13  0.128532D+01          0.109011          0.251007
 Vib (V=0)   14  0.125218D+01          0.097668          0.224889
 Vib (V=0)   15  0.125105D+01          0.097276          0.223986
 Vib (V=0)   16  0.116754D+01          0.067272          0.154900
 Vib (V=0)   17  0.116680D+01          0.066996          0.154264
 Vib (V=0)   18  0.116637D+01          0.066837          0.153898
 Vib (V=0)   19  0.112051D+01          0.049417          0.113787
 Vib (V=0)   20  0.112006D+01          0.049240          0.113379
 Vib (V=0)   21  0.109542D+01          0.039582          0.091140
 Vib (V=0)   22  0.108705D+01          0.036248          0.083463
 Vib (V=0)   23  0.107246D+01          0.030382          0.069957
 Vib (V=0)   24  0.107216D+01          0.030260          0.069677
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.187236D+09          8.272389         19.047880
 Rotational      0.182104D+07          6.260319         14.414918
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000006233    0.000003792    0.000013588
      2        6           0.000003663   -0.000022719    0.000009299
      3        7           0.000016343   -0.000009128    0.000049379
      4       45           0.000039110   -0.000051583   -0.000155007
      5        7           0.000040785   -0.000006110    0.000005553
      6        7           0.000004408    0.000051506    0.000029114
      7        6           0.000003792    0.000000458    0.000019055
      8        6          -0.000007472    0.000016456   -0.000001446
      9        7          -0.000023816    0.000059023    0.000043525
     10        7          -0.000003878   -0.000037462    0.000058952
     11        6          -0.000027452   -0.000006994    0.000040184
     12        6          -0.000019286   -0.000022559    0.000041811
     13        7           0.000004558   -0.000033502   -0.000013665
     14        1          -0.000000986   -0.000000830   -0.000001116
     15        1          -0.000024741    0.000020333   -0.000000892
     16        1           0.000000146   -0.000002592   -0.000000369
     17        1          -0.000018254   -0.000012697   -0.000008347
     18        1           0.000001830    0.000002303    0.000003182
     19        1          -0.000011340   -0.000020433   -0.000006881
     20        1           0.000000357    0.000001881    0.000002761
     21        1           0.000023155    0.000011700    0.000010013
     22        1          -0.000003201    0.000002074   -0.000005230
     23        1          -0.000000702   -0.000007617   -0.000018032
     24        1          -0.000001547   -0.000001040   -0.000004740
     25        1           0.000002588    0.000020177   -0.000002535
     26        1           0.000026413   -0.000010103   -0.000020290
     27        1           0.000002919   -0.000003638   -0.000010193
     28        1          -0.000023652   -0.000015070   -0.000019364
     29        1          -0.000005767    0.000006730   -0.000015040
     30        1          -0.000001896    0.000002553   -0.000010133
     31        1           0.000001823   -0.000023410    0.000004615
     32        1          -0.000015722    0.000029103   -0.000023818
     33        1           0.000003312   -0.000000904    0.000007734
     34        1          -0.000004599   -0.000001203    0.000008627
     35        1          -0.000001175    0.000026598   -0.000005987
     36        1           0.000008166    0.000046545   -0.000024386
     37        1           0.000005884   -0.000011638    0.000000077
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000155007 RMS     0.000024744
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.150308D+03 -0.151124D-02 -0.437308D-02
      2  -0.151124D-02  0.150288D+03 -0.316452D-02
      3  -0.437308D-02 -0.316452D-02  0.124632D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.170117D+01  0.213514D-01 -0.320314D-01
      2  -0.224262D-01 -0.168882D+01  0.145380D-01
      3   0.739158D-01 -0.350705D-01 -0.248709D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.559252D+02  0.836039D+02 -0.901419D-02
      2  -0.559389D+02 -0.835903D+02 -0.484875D-02
      3   0.136843D-01 -0.135275D-01  0.138629D-01
      4   0.836473D+02 -0.559759D+02  0.493754D-04
      5  -0.146099D-01  0.516945D+01 -0.412888D-02
      6  -0.516685D+01 -0.263740D-01 -0.105601D-03
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   111 ND12= 1 LenFil=    3999:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.270863D+01 -0.936292D+00 -0.251088D+01 -0.109522D+01 -0.282490D+01
      2  -0.936292D+00 -0.462526D+01  0.108275D+01 -0.282490D+01  0.623689D+01
      3  -0.251088D+01  0.108275D+01  0.810449D+00  0.357076D+00 -0.346098D+01
                 6             7             8             9            10 
      1   0.357076D+00 -0.188619D+01  0.591067D+00  0.876486D+00 -0.136483D+01
      2  -0.346098D+01  0.591067D+00 -0.278817D+01  0.860157D+00  0.354261D+01
      3   0.666934D+00  0.876486D+00  0.860157D+00  0.594957D+00  0.315856D+01
                11            12            13            14            15 
      1   0.354261D+01  0.315856D+01  0.269872D+01  0.349720D+01  0.479480D+00
      2   0.510296D+01  0.120586D+01  0.349720D+01  0.128778D+01  0.282356D+01
      3   0.120586D+01 -0.496399D+00  0.479480D+00  0.282356D+01  0.901325D+00
                16            17            18            19            20 
      1   0.245872D+01  0.771717D+00 -0.465924D+00  0.528901D+00 -0.209287D+01
      2   0.771717D+00  0.224570D+01  0.115613D+01 -0.209287D+01 -0.254580D+01
      3  -0.465924D+00  0.115613D+01 -0.564609D+00 -0.184654D+01 -0.774424D+00
                21            22            23            24            25 
      1  -0.184654D+01 -0.350320D+01 -0.505200D+01 -0.197996D+01 -0.229768D+01
      2  -0.774424D+00 -0.505200D+01 -0.570109D+01 -0.433700D+01 -0.124972D+01
      3  -0.111302D+01 -0.197996D+01 -0.433700D+01 -0.193450D+01 -0.145407D+01
                26            27            28            29            30 
      1  -0.124972D+01 -0.145407D+01 -0.954190D+00 -0.149718D+01  0.134074D-01
      2  -0.263205D+01 -0.165541D+01 -0.149718D+01  0.104345D+01 -0.184517D+01
      3  -0.165541D+01  0.137216D+01  0.134074D-01 -0.184517D+01  0.264815D-01
                31            32            33            34            35 
      1  -0.149089D+01  0.998919D+00  0.183541D+01  0.530697D-01 -0.229882D-01
      2   0.998919D+00  0.146461D+01  0.393069D-02 -0.229882D-01  0.619901D-01
      3   0.183541D+01  0.393069D-02 -0.701888D-02 -0.170154D-02 -0.301564D-01
                36            37            38            39            40 
      1  -0.170154D-02 -0.155869D+01  0.740309D+00  0.120993D+01  0.382837D+00
      2  -0.301564D-01  0.740309D+00 -0.216578D+00  0.558914D+00  0.272313D+01
      3   0.310402D-01  0.120993D+01  0.558914D+00  0.249317D+00 -0.690387D+00
                41            42            43            44            45 
      1   0.272313D+01 -0.690387D+00  0.145667D+01 -0.739159D+00  0.699121D+00
      2  -0.959228D+01  0.491957D+01 -0.739159D+00  0.342995D+01 -0.204841D+01
      3   0.491957D+01 -0.219362D+01  0.699121D+00 -0.204841D+01 -0.140006D+01
                46            47            48            49            50 
      1   0.406564D+01  0.480420D+01  0.395031D+01  0.252918D+01  0.304977D+01
      2   0.480420D+01  0.480530D+01  0.225730D+01  0.304977D+01  0.646646D+00
      3   0.395031D+01  0.225730D+01  0.176626D+01  0.103606D+01  0.221459D+01
                51            52            53            54            55 
      1   0.103606D+01  0.228708D+01  0.125889D+01  0.145551D+01  0.185854D+00
      2   0.221459D+01  0.125889D+01  0.262205D+01  0.166485D+01 -0.260813D+01
      3   0.133827D+01  0.145551D+01  0.166485D+01 -0.137374D+01 -0.261796D+01
                56            57            58            59            60 
      1  -0.260813D+01 -0.261796D+01 -0.417445D+01 -0.464453D+01 -0.113509D+01
      2  -0.358981D+01 -0.399831D+00 -0.464453D+01 -0.138097D+00 -0.336312D+01
      3  -0.399831D+00 -0.938557D+00 -0.113509D+01 -0.336312D+01  0.376119D+00
                61            62            63            64            65 
      1  -0.206542D+01 -0.709560D+00 -0.119122D+01 -0.734935D+01  0.151878D+01
      2  -0.709560D+00 -0.264942D+01  0.325685D+00  0.151878D+01  0.197376D+01
      3  -0.119122D+01  0.325685D+00  0.566960D+00  0.363093D+01 -0.211395D+00
                66            67            68            69            70 
      1   0.363093D+01  0.333910D+01  0.207620D+01 -0.938732D+00  0.297215D+01
      2  -0.211395D+00  0.207620D+01 -0.209888D+01  0.232886D+01 -0.446679D+00
      3  -0.567748D+00 -0.938732D+00  0.232886D+01 -0.885151D+00 -0.748545D+00
                71            72            73            74            75 
      1  -0.446679D+00 -0.748545D+00  0.100720D+02 -0.121770D+01 -0.491684D+01
      2   0.175687D+01 -0.979611D+00 -0.121770D+01 -0.106404D+01  0.201204D+00
      3  -0.979611D+00 -0.586547D+00 -0.491684D+01  0.201204D+00  0.223872D+01
                76            77            78            79            80 
      1   0.162631D+01 -0.106272D+01 -0.989915D+00 -0.366070D+01  0.451743D+00
      2  -0.106272D+01  0.119348D+01 -0.126047D+01  0.451743D+00 -0.132544D+01
      3  -0.989915D+00 -0.126047D+01  0.452579D-02  0.214868D+01 -0.437205D+00
                81            82            83            84            85 
      1   0.214868D+01 -0.667008D+00  0.183014D+01 -0.252950D+01  0.389880D+00
      2  -0.437205D+00  0.183014D+01 -0.630969D+01  0.237801D+01 -0.380989D+01
      3   0.137149D+01 -0.252950D+01  0.237801D+01 -0.111885D+01  0.116777D+01
                86            87            88            89            90 
      1  -0.380989D+01  0.116777D+01 -0.147580D+01  0.760313D+00 -0.701962D+00
      2   0.599904D+01 -0.364613D+01  0.760313D+00 -0.346225D+01  0.207279D+01
      3  -0.364613D+01  0.191992D+01 -0.701962D+00  0.207279D+01  0.138060D+01
                91            92            93            94            95 
      1  -0.147286D+01  0.131317D+01  0.216777D+01  0.313333D+00  0.456104D+01
      2   0.131317D+01  0.298447D+01  0.103593D+00  0.456104D+01 -0.560546D+01
      3   0.216777D+01  0.103593D+00  0.103873D+01 -0.645170D+00  0.382230D+01
                96            97            98            99           100 
      1  -0.645170D+00  0.160429D+01 -0.283483D+00  0.122211D+01  0.696117D+01
      2   0.382230D+01 -0.283483D+00  0.303363D+01 -0.162191D+00 -0.337317D+01
      3  -0.327356D-01  0.122211D+01 -0.162191D+00 -0.632527D+00 -0.383204D+01
               101           102           103           104           105 
      1  -0.337317D+01 -0.383204D+01 -0.173000D+01 -0.228151D+01 -0.311141D+00
      2  -0.147541D+01  0.406838D+00 -0.228151D+01  0.783643D+00 -0.212608D+01
      3   0.406838D+00  0.159957D+00 -0.311141D+00 -0.212608D+01 -0.102753D+01
               106           107           108           109           110 
      1  -0.308190D+01  0.895317D-01  0.305715D+00 -0.769089D+01  0.306394D+01
      2   0.895317D-01 -0.156942D+01 -0.119080D+01  0.306394D+01  0.453811D+00
      3   0.305715D+00 -0.119080D+01  0.637506D+00  0.408919D+01 -0.965680D+00
               111           112           113           114           115 
      1   0.408919D+01  0.569211D+01 -0.619784D+00 -0.217072D+01  0.357827D+01
      2  -0.965680D+00 -0.619784D+00  0.369911D+00  0.207490D+01 -0.465256D+00
      3  -0.205216D+01 -0.217072D+01  0.207490D+01  0.864631D+00 -0.213334D+01
               116           117           118           119           120 
      1  -0.465256D+00 -0.213334D+01  0.109835D+02  0.116588D+00 -0.294451D+01
      2   0.127957D+01  0.428398D+00  0.116588D+00  0.100027D+01  0.170389D-01
      3   0.428398D+00 -0.140771D+01 -0.294451D+01  0.170389D-01  0.203634D+01
               121           122           123           124           125 
      1  -0.214559D+01  0.113719D+01  0.819231D+00 -0.297867D+01 -0.481561D-02
      2   0.113719D+01  0.107125D+00 -0.739256D+00 -0.481561D-02 -0.486322D+00
      3   0.819231D+00 -0.739256D+00 -0.264549D+00  0.245544D+01  0.166718D+00
               126           127           128           129           130 
      1   0.245544D+01  0.125564D+00  0.634638D+00 -0.884373D+00  0.112650D+01
      2   0.166718D+00  0.634638D+00 -0.648681D+00  0.213513D+00  0.473976D+00
      3  -0.146647D+01 -0.884373D+00  0.213513D+00 -0.347923D+00 -0.188844D+00
               131           132           133           134           135 
      1   0.473976D+00 -0.188844D+00 -0.134174D+01 -0.366203D+00  0.393094D+00
      2   0.460480D+01 -0.213573D+01 -0.366203D+00 -0.177514D+01  0.168301D+01
      3  -0.213573D+01  0.226431D+01  0.393094D+00  0.168301D+01 -0.215482D+01
               136           137           138           139           140 
      1   0.567617D+01  0.294335D+01  0.171617D+01  0.471147D+01  0.402016D+01
      2   0.294335D+01  0.250714D+01  0.760554D+00  0.402016D+01  0.424672D+01
      3   0.171617D+01  0.760554D+00  0.144144D+01  0.157621D+01  0.196416D+01
               141           142           143           144           145 
      1   0.157621D+01  0.208440D+01  0.121687D+01  0.205569D+01  0.207654D+01
      2   0.196416D+01  0.121687D+01  0.142104D+01  0.136824D+01 -0.923685D+00
      3   0.144503D+01  0.205569D+01  0.136824D+01  0.149433D+01  0.134712D+01
               146           147           148           149           150 
      1  -0.923685D+00  0.134712D+01 -0.200298D+01  0.156586D+01 -0.794416D+00
      2   0.966377D+00 -0.392994D+00  0.156586D+01 -0.285603D+01  0.168626D+01
      3  -0.392994D+00  0.109938D+01 -0.794416D+00  0.168626D+01 -0.200582D+01
               151           152           153           154           155 
      1   0.188541D+01 -0.305607D+00  0.133643D+01 -0.219646D+01  0.181414D+01
      2  -0.305607D+00  0.126485D+01 -0.110022D+01  0.181414D+01 -0.192518D+01
      3   0.133643D+01 -0.110022D+01  0.216101D+01 -0.924708D+00  0.326357D+00
               156           157           158           159           160 
      1  -0.924708D+00  0.287080D+01 -0.401514D+01  0.115279D+01 -0.111670D+01
      2   0.326357D+00 -0.401514D+01  0.856176D+01 -0.276305D+01  0.108103D+01
      3  -0.776054D+00  0.115279D+01 -0.276305D+01  0.189917D+01 -0.137000D+01
               161           162           163           164           165 
      1   0.108103D+01 -0.137000D+01 -0.363147D+01 -0.777768D+00 -0.180707D+01
      2  -0.235179D+01  0.204327D+01 -0.777768D+00 -0.106251D+01 -0.351528D+00
      3   0.204327D+01 -0.146622D+01 -0.180707D+01 -0.351528D+00 -0.180844D+01
               166           167           168           169           170 
      1  -0.201484D+01 -0.120592D+01 -0.753724D+00 -0.196293D+01 -0.115855D-02
      2  -0.120592D+01 -0.132429D+01 -0.121601D+01 -0.115855D-02 -0.112516D+01
      3  -0.753724D+00 -0.121601D+01 -0.145135D+01 -0.165402D+01 -0.496283D+00
               171           172           173           174           175 
      1  -0.165402D+01 -0.973204D+01  0.334102D+01  0.291801D+01  0.119291D+01
      2  -0.496283D+00  0.334102D+01 -0.213381D+01 -0.886090D+00 -0.138758D+01
      3  -0.211929D+01  0.291801D+01 -0.886090D+00 -0.198392D+01 -0.754632D-01
               176           177           178           179           180 
      1  -0.138758D+01 -0.754632D-01  0.260501D+01 -0.876855D+00 -0.220293D+01
      2   0.151739D+01  0.763363D+00 -0.876855D+00  0.850312D+00  0.109405D+01
      3   0.763363D+00  0.531357D+00 -0.220293D+01  0.109405D+01  0.146030D+01
               181           182           183           184           185 
      1   0.878274D+00  0.101969D+01  0.107378D+01  0.105107D+01  0.543972D+00
      2   0.101969D+01  0.177974D+01  0.657633D+00  0.543972D+00  0.407780D+01
      3   0.107378D+01  0.657633D+00  0.120298D+01  0.253046D+00  0.194400D+01
               186           187           188           189           190 
      1   0.253046D+00  0.114614D+01 -0.115467D+00  0.279102D+00 -0.294540D+01
      2   0.194400D+01 -0.115467D+00  0.196843D+01  0.170206D+01 -0.347172D+01
      3   0.197074D+01  0.279102D+00  0.170206D+01  0.212732D+01 -0.165802D+01
               191           192           193           194           195 
      1  -0.347172D+01 -0.165802D+01 -0.221171D+01 -0.291526D+01 -0.753266D+00
      2  -0.483867D+01 -0.156955D+01 -0.291526D+01 -0.710491D+01 -0.202861D+01
      3  -0.156955D+01 -0.124392D+01 -0.753266D+00 -0.202861D+01 -0.161681D+01
               196           197           198           199           200 
      1  -0.112470D+01 -0.109773D+01 -0.109498D+01  0.338043D+01 -0.152185D+01
      2  -0.109773D+01 -0.240137D+01 -0.221904D+01 -0.152185D+01  0.184372D+01
      3  -0.109498D+01 -0.221904D+01 -0.150126D+01 -0.183351D+01  0.736498D+00
               201           202           203           204           205 
      1  -0.183351D+01 -0.780209D+00  0.858550D+00  0.332311D+00 -0.134357D+01
      2   0.736498D+00  0.858550D+00 -0.161689D+01 -0.117881D+01  0.371287D+00
      3   0.213469D+01  0.332311D+00 -0.117881D+01 -0.835472D+00  0.125735D+01
               206           207           208           209           210 
      1   0.371287D+00  0.125735D+01  0.374219D+00 -0.153121D+01  0.891555D+00
      2  -0.175575D+01 -0.118797D+01 -0.153121D+01  0.324259D+01 -0.109754D+01
      3  -0.118797D+01 -0.215229D+01  0.891555D+00 -0.109754D+01  0.530956D+00
               211           212           213           214           215 
      1  -0.109850D+01  0.985071D+00 -0.285813D+00  0.527921D+00 -0.314634D+00
      2   0.985071D+00 -0.105258D+02  0.279695D+01 -0.314634D+00  0.292933D+01
      3  -0.285813D+00  0.279695D+01 -0.198407D+01  0.155361D+00 -0.245374D+01
               216           217           218           219           220 
      1   0.155361D+00 -0.448804D+01 -0.834158D+00  0.211763D+01  0.222205D+00
      2  -0.245374D+01 -0.834158D+00 -0.125490D+01  0.347497D+00 -0.623176D+00
      3   0.146339D+01  0.211763D+01  0.347497D+00 -0.229195D+01 -0.560381D-01
               221           222           223           224           225 
      1  -0.623176D+00 -0.560381D-01  0.167368D+01  0.411114D+00 -0.161689D+01
      2  -0.447571D+00  0.901121D+00  0.411114D+00  0.144526D+01 -0.610278D+00
      3   0.901121D+00  0.510999D-01 -0.161689D+01 -0.610278D+00  0.215243D+01
               226           227           228           229           230 
      1   0.498676D+01 -0.165573D+01  0.757639D+00 -0.181405D+01  0.956634D+00
      2  -0.165573D+01  0.308993D+01 -0.115906D+01  0.956634D+00 -0.361396D+00
      3   0.757639D+00 -0.115906D+01  0.126481D+01 -0.160809D+00 -0.606371D+00
               231           232           233           234           235 
      1  -0.160809D+00  0.561954D-01  0.944951D-01  0.568258D+00  0.613126D+00
      2  -0.606371D+00  0.944951D-01 -0.188935D+01  0.476295D+00 -0.369953D+00
      3  -0.642089D-01  0.568258D+00  0.476295D+00  0.199282D+00  0.683757D+00
               236           237           238           239           240 
      1  -0.369953D+00  0.683757D+00 -0.451929D+00 -0.458982D+00  0.227871D+00
      2  -0.955692D+00  0.304913D+00 -0.458982D+00  0.141485D+01 -0.174126D+00
      3   0.304913D+00 -0.170011D+00  0.227871D+00 -0.174126D+00  0.639219D+00
               241           242           243           244           245 
      1   0.927693D+00 -0.698356D-01  0.923144D+00 -0.630177D+01 -0.521180D+00
      2  -0.698356D-01  0.188254D+01 -0.109550D+01 -0.521180D+00 -0.199012D+01
      3   0.923144D+00 -0.109550D+01  0.692752D+01 -0.102022D+01 -0.484881D+00
               246           247           248           249           250 
      1  -0.102022D+01  0.135784D+00  0.413712D-01  0.513705D+00  0.287640D+00
      2  -0.484881D+00  0.413712D-01  0.921419D+00  0.868798D+00  0.751163D+00
      3  -0.119280D+01  0.513705D+00  0.868798D+00  0.423807D+00 -0.345468D+00
               251           252           253           254           255 
      1   0.751163D+00 -0.345468D+00 -0.537109D+00  0.649444D+00 -0.365991D+00
      2   0.152896D+01  0.654033D+00  0.649444D+00  0.121858D+01  0.530165D+00
      3   0.654033D+00 -0.197644D+00 -0.365991D+00  0.530165D+00  0.402280D+00
               256           257           258           259           260 
      1   0.383566D+00  0.800009D+00  0.454558D+00 -0.111810D+01 -0.386035D+00
      2   0.800009D+00  0.374233D+00 -0.138440D+00 -0.386035D+00 -0.169204D+01
      3   0.454558D+00 -0.138440D+00  0.524770D+00 -0.127352D+01 -0.656240D+00
               261           262           263           264           265 
      1  -0.127352D+01 -0.385729D+01 -0.177694D+01  0.314526D+00 -0.353697D+01
      2  -0.656240D+00 -0.177694D+01 -0.207236D+01  0.418198D+00 -0.881360D+00
      3  -0.692632D+01  0.314526D+00  0.418198D+00 -0.689864D+00  0.141538D+01
               266           267           268           269           270 
      1  -0.881360D+00  0.141538D+01 -0.147682D+01  0.792704D+00  0.123640D+00
      2  -0.235457D+01 -0.148222D+00  0.792704D+00 -0.346441D+00 -0.729077D+00
      3  -0.148222D+00 -0.106119D+01  0.123640D+00 -0.729077D+00  0.205444D+00
               271           272           273           274           275 
      1   0.128762D+01 -0.928237D+00 -0.192984D+00 -0.461023D+00 -0.463923D+00
      2  -0.928237D+00 -0.288072D+00  0.276730D+00 -0.463923D+00  0.281678D+00
      3  -0.192984D+00  0.276730D+00  0.640380D+00  0.197445D+00  0.702349D+00
               276           277           278           279           280 
      1   0.197445D+00  0.170470D+01 -0.377826D+00 -0.140875D+01  0.190799D+01
      2   0.702349D+00 -0.377826D+00  0.110511D+01 -0.249031D+00  0.492688D+00
      3  -0.166774D+00 -0.140875D+01 -0.249031D+00  0.692897D+01  0.384500D+00
               281           282           283           284           285 
      1   0.492688D+00  0.384500D+00  0.191224D+01  0.157089D+01 -0.326818D+00
      2   0.317304D+01 -0.132130D+01  0.157089D+01  0.472389D+01 -0.531520D+00
      3  -0.132130D+01  0.960268D+00 -0.326818D+00 -0.531520D+00  0.818404D+00
               286           287           288           289           290 
      1   0.576977D+00 -0.905066D+00  0.738016D+00 -0.383549D+00  0.205095D+00
      2  -0.905066D+00  0.126562D+01 -0.289537D-01  0.205095D+00  0.699354D+00
      3   0.738016D+00 -0.289537D-01 -0.198668D+00 -0.624747D+00 -0.307477D+00
               291           292           293           294           295 
      1  -0.624747D+00 -0.270918D-01  0.113492D+01 -0.383636D+00 -0.121497D+01
      2  -0.307477D+00  0.113492D+01 -0.933595D+00  0.113485D+00  0.442018D+00
      3   0.256099D+00 -0.383636D+00  0.113485D+00 -0.605251D+00  0.716177D-01
               296           297           298           299           300 
      1   0.442018D+00  0.716177D-01 -0.115620D+01 -0.131719D+00 -0.826617D+00
      2  -0.159909D+01  0.143637D+01 -0.131719D+00 -0.989219D+00 -0.758475D+00
      3   0.143637D+01 -0.692777D+01 -0.826617D+00 -0.758475D+00 -0.573890D+00
               301           302           303           304           305 
      1   0.179588D+01 -0.703182D-01  0.239027D+00 -0.131344D+01 -0.892027D+00
      2  -0.703182D-01  0.628771D+01  0.991334D+00 -0.892027D+00 -0.499314D+00
      3   0.239027D+00  0.991334D+00  0.112747D+01 -0.695750D+00  0.252111D+00
               306           307           308           309           310 
      1  -0.695750D+00 -0.311161D-01 -0.651351D+00  0.269559D+00 -0.103562D+01
      2   0.252111D+00 -0.651351D+00 -0.628853D+00 -0.464948D+00 -0.946568D+00
      3   0.201885D+00  0.269559D+00 -0.464948D+00 -0.466757D+00 -0.542974D+00
               311           312           313           314           315 
      1  -0.946568D+00 -0.542974D+00  0.158236D+01  0.447556D+00  0.485831D+00
      2   0.257067D+00  0.235566D+00  0.447556D+00  0.122697D+01  0.134162D+01
      3   0.235566D+00 -0.473661D+00  0.485831D+00  0.134162D+01  0.692731D+01
               316           317           318           319           320 
      1   0.110107D+01 -0.133966D+01  0.411033D+00 -0.342932D+01  0.168466D+01
      2  -0.133966D+01  0.212910D+01  0.314618D+00  0.168466D+01 -0.427918D+01
      3   0.411033D+00  0.314618D+00  0.230188D+00  0.131076D+01 -0.562999D+00
               321           322           323           324           325 
      1   0.131076D+01  0.187487D+01  0.154886D+00 -0.397019D+00 -0.159520D+01
      2  -0.562999D+00  0.154886D+00 -0.423399D-01 -0.623638D+00  0.130693D+00
      3  -0.124333D+01 -0.397019D+00 -0.623638D+00 -0.199025D+00  0.231127D+00
               326           327           328           329           330 
      1   0.130693D+00  0.231127D+00  0.629683D+00  0.584022D+00 -0.185210D+00
      2   0.601077D+00 -0.107844D+00  0.584022D+00 -0.418429D+00 -0.738151D+00
      3  -0.107844D+00 -0.657454D+00 -0.185210D+00 -0.738151D+00  0.859482D-01
               331           332           333 
      1  -0.188392D+01 -0.562737D-01  0.120551D+01
      2  -0.562737D-01 -0.927328D+00 -0.772018D+00
      3   0.120551D+01 -0.772018D+00 -0.692893D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.103869D+02 -0.609340D+01  0.519102D+01 -0.524253D+01 -0.146620D+01
      2   0.401212D+00  0.255598D+01  0.312342D+01  0.158788D+01  0.220680D+01
      3  -0.856929D+01  0.217853D+01  0.855333D+01  0.581524D+01  0.833225D+01
                 6             7             8             9            10 
      1  -0.820669D+01  0.167912D+00 -0.248626D+01  0.115679D+01  0.434178D+01
      2   0.812568D+00  0.253633D+00 -0.125431D+00 -0.842708D+00 -0.270865D+01
      3   0.125551D+01  0.926117D+01  0.210702D+01 -0.349109D+01  0.898187D+01
                11            12            13            14            15 
      1  -0.757887D+01 -0.640883D+01 -0.639202D+01  0.755568D+01 -0.609190D+01
      2   0.168862D+01  0.541975D+01  0.226248D+01  0.513638D+00  0.380706D+00
      3  -0.486902D+01 -0.739176D+01 -0.126832D+01 -0.865607D+01  0.450835D+01
                16            17            18            19            20 
      1  -0.929993D+00 -0.194867D+01 -0.129677D+01 -0.210146D+00 -0.120821D+01
      2   0.677430D+00  0.866789D+00 -0.400418D+00  0.192468D+02  0.140526D+02
      3  -0.775792D+01  0.541430D+01  0.346641D+01 -0.205068D+02 -0.178903D+02
                21            22            23            24            25 
      1   0.275766D+01 -0.327944D+01 -0.170450D+02  0.254394D+00  0.113107D+02
      2   0.902402D+01  0.425482D+01 -0.117578D+01 -0.384505D+01 -0.107644D+02
      3  -0.868154D+01  0.302744D+01  0.165513D+02  0.415202D+01 -0.223209D+01
                26            27            28            29            30 
      1   0.191276D+02  0.176536D+02  0.211719D+01  0.294158D+01  0.130197D+00
      2  -0.132528D+02 -0.168853D+02  0.264273D+01 -0.206682D+01 -0.668317D+01
      3   0.321648D+01  0.317054D+00  0.228319D-01  0.890595D+01 -0.899515D-01
                31            32            33            34            35 
      1   0.301540D+01 -0.185358D+01  0.686151D+01  0.256022D+00 -0.771538D+01
      2  -0.223464D+01 -0.319850D+01  0.957095D-01  0.800694D+01  0.584788D-01
      3  -0.902339D+01 -0.198312D+00  0.140307D+00  0.250303D+00  0.398531D+00
                36            37            38            39            40 
      1  -0.936241D-01  0.468367D+01 -0.213013D+01  0.145447D+01 -0.274326D+00
      2  -0.480222D+00  0.865897D+01 -0.194009D+02  0.101029D+02 -0.942772D+01
      3  -0.141277D+00  0.989353D+01 -0.290477D+02  0.980008D+01 -0.801658D+01
                41            42            43            44            45 
      1   0.181941D+02  0.119444D+01 -0.476564D+01  0.266810D+02 -0.228102D+02
      2   0.167851D+01 -0.520596D+00 -0.329709D+01  0.651045D+01 -0.872599D+01
      3  -0.555640D+01  0.380492D+00  0.330980D+01  0.184686D+01 -0.201225D+00
                46            47            48            49            50 
      1   0.838412D+00 -0.213592D+01  0.481382D+01 -0.115339D+02 -0.213404D+02
      2   0.167019D+02  0.531267D+01  0.827034D+00  0.200624D+01 -0.162320D+01
      3  -0.178909D+02 -0.804464D+01 -0.524838D+01  0.127664D+02  0.217548D+02
                51            52            53            54            55 
      1  -0.808799D+01  0.138053D+02  0.139664D+02  0.189243D+02  0.122638D+01
      2  -0.373238D+01 -0.156054D+02 -0.118559D+02 -0.152313D+02 -0.937157D+01
      3   0.804124D+01 -0.361196D+01  0.180507D+01 -0.363477D+00  0.770455D+01
                56            57            58            59            60 
      1  -0.336418D+01 -0.372755D+00 -0.296315D+01  0.242357D+01 -0.633375D+01
      2   0.536196D+01  0.529115D+01  0.672062D+01 -0.224949D+01  0.640647D+01
      3   0.345552D+01 -0.541819D+01  0.696648D+01 -0.782354D+01  0.671068D+01
                61            62            63            64            65 
      1  -0.103494D+01 -0.963585D+00  0.225812D+00 -0.156328D+01 -0.221416D+01
      2   0.175685D+01  0.112048D+01  0.134851D+01 -0.163111D+00  0.360349D+01
      3  -0.635708D+01  0.700322D+01 -0.351798D+01 -0.693362D+01 -0.783438D+01
                66            67            68            69            70 
      1  -0.155749D+01 -0.334553D+01 -0.245622D+01 -0.263675D+01 -0.221466D+00
      2   0.869982D+01  0.434774D+01  0.114468D+02 -0.444626D+01  0.254089D+01
      3  -0.156496D+00 -0.431301D+01  0.728340D+01 -0.858847D+01 -0.904978D+00
                71            72            73            74            75 
      1  -0.265523D+00  0.981566D+00 -0.252659D+01  0.997682D+01  0.164932D+01
      2   0.126714D+00 -0.103214D+01 -0.187387D+02 -0.187221D+00 -0.839745D+00
      3  -0.947297D+01  0.352199D+01  0.130578D+01  0.941088D+01  0.529519D+00
                76            77            78            79            80 
      1   0.194260D+02 -0.410473D+01 -0.953148D+01 -0.358807D+01  0.224640D+01
      2   0.271620D+01 -0.524615D+01 -0.287035D+01 -0.278376D+02  0.146352D+01
      3   0.301590D+02 -0.476994D+01 -0.955991D+01 -0.175382D+01 -0.352621D+01
                81            82            83            84            85 
      1   0.591270D+01  0.206417D+01  0.316716D+01 -0.615482D+01 -0.424216D+01
      2   0.237706D+02  0.113968D+02 -0.127018D+02  0.488021D+01 -0.596356D+01
      3   0.444284D+00  0.136700D+02 -0.226120D+02  0.785608D+01 -0.169051D+01
                86            87            88            89            90 
      1   0.221754D+02 -0.393359D+01 -0.106778D+02  0.235202D+02 -0.233354D+02
      2  -0.566572D+01  0.514377D+01 -0.646931D+01  0.885455D+01 -0.683691D+01
      3  -0.177805D+02  0.555651D+01  0.373686D+01  0.401310D+00  0.240667D+00
                91            92            93            94            95 
      1  -0.812069D+01 -0.311190D+01 -0.107366D+01 -0.320472D+01  0.305147D+00
      2  -0.101011D+02 -0.243313D-01  0.290592D+01 -0.132979D+01  0.913212D+00
      3  -0.175658D+01  0.737008D+01  0.760343D+01  0.109528D+02  0.194988D+01
                96            97            98            99           100 
      1  -0.848830D+01  0.986186D+00 -0.174861D+01  0.510224D+00 -0.787457D+00
      2  -0.500397D+01  0.784240D+00 -0.103538D+01  0.157841D+01 -0.113337D+01
      3   0.415665D+01  0.848212D+01  0.395745D+01  0.350102D+01  0.618930D+00
               101           102           103           104           105 
      1  -0.320553D+00  0.419294D+01 -0.169198D+01  0.875705D+01 -0.252084D+01
      2   0.199776D+01  0.887008D+01  0.175820D+01  0.998118D+01  0.185024D+01
      3  -0.110969D+02 -0.311742D+01 -0.764796D+01 -0.928495D+00 -0.802941D+01
               106           107           108           109           110 
      1   0.937939D+00 -0.599381D+00 -0.149578D+01  0.541118D+01  0.783682D+01
      2   0.203190D+01 -0.816342D+00 -0.717978D+00 -0.214886D+02  0.271905D+01
      3  -0.282250D+01 -0.896885D+01 -0.357755D+01  0.136479D+02  0.568096D+01
               111           112           113           114           115 
      1  -0.473361D+01  0.154588D+02 -0.839414D+01 -0.644789D+01 -0.618490D+01
      2   0.235364D+01 -0.371615D+01 -0.338389D+01  0.577700D+01 -0.258230D+02
      3  -0.424401D+01  0.265828D+02 -0.100773D+02 -0.866791D+01  0.281392D+00
               116           117           118           119           120 
      1   0.405310D+01  0.382460D+01  0.145038D+01 -0.158280D+01 -0.190752D+01
      2   0.809711D+01  0.243066D+02  0.216249D+01  0.853092D+00  0.573147D+01
      3  -0.411328D+01 -0.288073D+00  0.736742D+01 -0.539043D+01 -0.294717D+01
               121           122           123           124           125 
      1  -0.315708D+00  0.106548D+01 -0.284373D+00 -0.128608D+01  0.136238D+01
      2  -0.298847D+01 -0.171557D+01  0.327014D+00  0.259055D+01 -0.304034D+00
      3  -0.222608D+01  0.180149D+01  0.233019D+01 -0.839014D+00  0.285221D+01
               126           127           128           129           130 
      1   0.745381D+00  0.691130D+00  0.961019D+00  0.744329D+00 -0.177710D+00
      2  -0.248652D+01 -0.422161D+01  0.140460D+01 -0.221107D+01  0.917906D+00
      3   0.106317D+01 -0.308069D+01  0.318915D+01 -0.190987D+01  0.259962D+01
               131           132           133           134           135 
      1  -0.300611D+01 -0.188015D+01 -0.906966D-01  0.107813D+01  0.916415D+00
      2  -0.648445D+01  0.732060D+01 -0.199099D+01  0.529069D+01 -0.620654D+01
      3  -0.145391D+02  0.677603D+01 -0.631979D+00  0.558271D+01 -0.557046D+01
               136           137           138           139           140 
      1   0.114456D+00  0.969787D+00 -0.153907D+01  0.232910D+01  0.215891D+01
      2   0.586871D+00  0.451297D+00  0.475609D+01 -0.343561D+01  0.693450D+00
      3  -0.175524D+01 -0.519375D+01 -0.891025D+00 -0.199878D+01 -0.756889D+01
               141           142           143           144           145 
      1  -0.120217D+01 -0.962770D+00  0.392661D+00 -0.978714D+00 -0.262148D+01
      2   0.309272D+01  0.158631D+01  0.257970D+01  0.255501D+01  0.305753D+01
      3  -0.364600D+01  0.105477D+01 -0.281261D+01 -0.110699D+01  0.446752D+01
               146           147           148           149           150 
      1   0.122450D+01 -0.118954D+01  0.242594D+01 -0.570501D+01  0.280997D+01
      2   0.254127D+00  0.245457D+01  0.576744D+00  0.413833D+01 -0.686371D+01
      3  -0.449466D+01  0.257970D+01 -0.512358D+01  0.130629D+02 -0.654978D+01
               151           152           153           154           155 
      1  -0.145970D+01  0.402514D+01 -0.305622D+01  0.131893D+01 -0.521035D+00
      2   0.901406D+00 -0.375247D+01  0.551159D+01  0.125226D+01 -0.665812D+00
      3   0.290796D+01 -0.483983D+01  0.558365D+01  0.115375D+00 -0.205252D+01
               156           157           158           159           160 
      1   0.211142D+01  0.219036D+01 -0.293122D+01 -0.339804D+01  0.114502D+01
      2   0.258962D+01  0.237816D+01  0.806675D+00 -0.369943D+01  0.373662D-01
      3  -0.583462D+00  0.112547D+01  0.923697D+01 -0.370883D+01 -0.206498D+01
               161           162           163           164           165 
      1  -0.118039D+01  0.178169D+01  0.514245D+01  0.177055D+01  0.395392D+01
      2  -0.276031D+01  0.189872D+01  0.929454D+00 -0.391338D+00  0.381339D+01
      3  -0.215931D+01  0.108686D+01 -0.917765D+01 -0.612756D+01 -0.492658D+01
               166           167           168           169           170 
      1   0.275468D+01  0.530134D+01  0.407300D+01  0.353383D+01  0.406815D+01
      2  -0.117312D+01  0.240206D+01  0.421032D+01  0.107864D+01  0.162883D+01
      3  -0.676515D+01 -0.844095D+01 -0.505965D+01 -0.446079D+01 -0.330118D+01
               171           172           173           174           175 
      1   0.484595D+01 -0.998715D+00 -0.205585D+01  0.350249D+01  0.587014D+00
      2   0.375155D+01  0.296708D+01 -0.189878D+01  0.414878D+01  0.114520D+01
      3  -0.555595D+01 -0.924068D+01 -0.231357D+01  0.361090D+01  0.881754D+00
               176           177           178           179           180 
      1  -0.113250D+01 -0.187547D+01  0.255463D+01  0.425196D+00 -0.162555D+01
      2  -0.157818D+01 -0.192244D+01  0.166627D+01 -0.956470D+00 -0.198844D+01
      3   0.996382D-01  0.102339D+01  0.189547D+01  0.231172D+01 -0.106538D+01
               181           182           183           184           185 
      1  -0.190716D+01  0.125307D+01 -0.318823D+01  0.386166D+00  0.894520D-02
      2  -0.497621D+01 -0.258244D+01 -0.396330D+01 -0.171050D+01 -0.575718D+01
      3   0.674401D+01  0.644959D+01  0.435874D+01  0.587957D+01  0.108224D+02
               186           187           188           189           190 
      1  -0.366772D+01 -0.102827D+01 -0.697977D+00 -0.313896D+01 -0.845115D+00
      2  -0.494197D+01 -0.375141D+01 -0.415586D+01 -0.532205D+01 -0.180707D+01
      3   0.554232D+01  0.270935D+01  0.487417D+01  0.556837D+01  0.649217D+01
               191           192           193           194           195 
      1   0.364386D+01 -0.255744D+01 -0.355172D+00 -0.101691D+00 -0.527324D+01
      2  -0.207137D+01  0.667399D+00 -0.125057D+01 -0.593963D+00  0.994829D+00
      3   0.265798D+01  0.349565D+01  0.586568D+01  0.273488D+01  0.134709D+01
               196           197           198           199           200 
      1  -0.227665D+01 -0.198437D+01 -0.268517D+01 -0.478028D+01 -0.433407D+00
      2  -0.815491D+00  0.651240D+00  0.646917D+00  0.556716D+01 -0.203105D+01
      3   0.293967D+01 -0.697171D+00  0.111943D+01 -0.141769D+02  0.381426D+01
               201           202           203           204           205 
      1   0.744999D+01 -0.299854D+00 -0.329803D+01 -0.170982D+01  0.432252D+01
      2  -0.199120D+01 -0.778404D+00  0.181676D+01  0.607343D+00 -0.362396D+01
      3   0.682586D+01  0.316293D+01 -0.346382D+01 -0.172568D+01  0.511687D+01
               206           207           208           209           210 
      1  -0.617426D+00 -0.581168D+01  0.156265D+01  0.343474D+01  0.415781D+00
      2   0.859551D+00  0.230613D+01 -0.114765D+01  0.775999D+00  0.868091D-01
      3  -0.225143D+01 -0.555264D+01 -0.292420D+01  0.280392D+01 -0.272171D+01
               211           212           213           214           215 
      1  -0.582847D+00 -0.165148D+01 -0.592680D+01  0.846969D+00 -0.265394D+01
      2   0.152826D+01 -0.142120D+01  0.116538D+01 -0.142229D+01  0.766090D+00
      3   0.596240D+01 -0.629459D+01  0.260827D+01 -0.294505D+01  0.454792D+00
               216           217           218           219           220 
      1   0.255745D+01  0.629719D+01 -0.669631D+00 -0.775876D+01 -0.100036D+01
      2  -0.422478D+00  0.389049D+01  0.589288D+00  0.975779D+00 -0.602979D+00
      3  -0.108005D+01  0.150848D+02 -0.101101D+01 -0.697347D+01 -0.160852D+01
               221           222           223           224           225 
      1   0.401943D+01  0.127598D+01 -0.532036D+01  0.128481D+01  0.627428D+01
      2  -0.204978D+00 -0.312581D+00 -0.179297D+01  0.117545D+00 -0.109606D+00
      3   0.251872D+01  0.101542D+01 -0.562250D+01 -0.928294D-01  0.557354D+01
               226           227           228           229           230 
      1  -0.519690D+00  0.369308D+01  0.765162D+00  0.911213D+00  0.745864D+00
      2  -0.858021D+01  0.357453D+01 -0.338730D+00  0.105855D+01 -0.122810D-01
      3  -0.113631D+02  0.154063D+01 -0.199917D+01  0.180024D+01 -0.502993D+00
               231           232           233           234           235 
      1  -0.185273D+01  0.185573D+01 -0.220250D+01  0.607575D+00  0.174213D+01
      2  -0.707589D+00  0.147357D+01 -0.209974D+01 -0.201984D+00  0.161190D+00
      3  -0.468661D+00  0.185393D+01 -0.593141D+00 -0.406425D+00 -0.361515D+00
               236           237           238           239           240 
      1  -0.983028D-02 -0.513658D+00  0.130271D+01  0.101037D+00  0.314632D+01
      2   0.436720D+00 -0.119119D+01  0.154618D+00 -0.209829D+01  0.166549D+01
      3  -0.428741D+00 -0.169596D+01  0.365099D+00 -0.164783D+01 -0.369126D-01
               241           242           243           244           245 
      1   0.259641D+01  0.741872D+00  0.146736D+02 -0.161381D+01  0.244462D+01
      2  -0.150474D+01 -0.141942D+01  0.399377D+01 -0.902347D+01 -0.911538D+00
      3  -0.184327D+01 -0.176575D+01 -0.156640D+01  0.109254D+02 -0.276338D+01
               246           247           248           249           250 
      1  -0.129662D+01  0.822705D+00 -0.183368D+01 -0.986726D+00 -0.153241D+01
      2   0.462127D+00  0.252105D+01  0.118234D+01  0.125244D+01  0.296728D+01
      3   0.169286D+01 -0.252297D+01  0.877860D+00 -0.120572D+01 -0.193806D+01
               251           252           253           254           255 
      1  -0.668858D+00 -0.613496D+00 -0.108557D+01 -0.687281D-01  0.895564D+00
      2   0.176187D+01  0.242375D-01  0.314456D-01 -0.122584D+01 -0.224672D+01
      3   0.167511D+00  0.416939D+00  0.540708D+00  0.318729D-01  0.154265D+01
               256           257           258           259           260 
      1   0.123908D+01 -0.129793D+01  0.208670D+01 -0.227911D+01  0.229355D+01
      2  -0.144721D+01 -0.116645D+01 -0.205469D+01  0.501172D-01  0.109348D+01
      3   0.832421D+00  0.147621D+01 -0.682033D+00  0.101889D+01 -0.234326D+01
               261           262           263           264           265 
      1  -0.120153D+02 -0.284110D+01 -0.293314D+01  0.639859D+00 -0.376998D+01
      2   0.929325D+01  0.347248D+01  0.202116D+01  0.187446D+01  0.569659D+01
      3   0.157417D+01 -0.469489D+01 -0.561832D+01  0.636909D+00 -0.542253D+01
               266           267           268           269           270 
      1  -0.472939D+01  0.451000D+00 -0.804062D+00  0.787424D-01 -0.470555D+00
      2   0.660661D+00 -0.541718D+00  0.368804D+01  0.582623D+00 -0.396201D+00
      3  -0.718899D+01  0.197939D+01 -0.144252D+01 -0.131925D+01 -0.428259D+00
               271           272           273           274           275 
      1  -0.150486D+01  0.960016D+00  0.276476D+00  0.732038D-01 -0.107836D+01
      2   0.954365D+00 -0.280875D+00 -0.361901D+01 -0.124489D+01 -0.155443D+01
      3  -0.128546D+01  0.161211D+00  0.817636D+00  0.967607D+00 -0.714292D+00
               276           277           278           279           280 
      1   0.738108D+00 -0.100176D+00  0.305850D+01 -0.388706D+01 -0.221937D+00
      2   0.874044D+00  0.801527D+00  0.128086D+01 -0.146967D+02  0.382244D+01
      3   0.148560D+01 -0.612066D+00  0.247452D+01 -0.157107D+01  0.571664D+01
               281           282           283           284           285 
      1  -0.573514D+01  0.829139D+00 -0.188148D+01 -0.483950D+01 -0.168810D+01
      2   0.318286D+01 -0.240468D+00  0.284702D+01  0.309916D+01 -0.901611D+00
      3   0.555112D+01 -0.186417D+01  0.576241D+01  0.611822D+01 -0.878429D+00
               286           287           288           289           290 
      1  -0.849111D-01 -0.385605D+01  0.329715D+00  0.113447D+01  0.155520D+01
      2  -0.166283D+00  0.303832D+00  0.521674D+00  0.138242D+01  0.104673D+00
      3   0.114784D+01  0.163077D+01  0.425115D+00  0.870847D+00 -0.101667D+01
               291           292           293           294           295 
      1  -0.125322D+01  0.688661D+00 -0.906931D+00  0.346850D+01 -0.766134D+00
      2  -0.866710D+00 -0.906108D+00  0.126653D+01  0.820998D-01 -0.317488D+01
      3  -0.137243D+01 -0.203180D+00  0.114344D+01 -0.999034D+00 -0.253959D+01
               296           297           298           299           300 
      1  -0.927659D+00  0.140623D+02 -0.107209D+01 -0.368911D+01 -0.126134D+01
      2  -0.432109D+00  0.577042D+01  0.218149D+01 -0.123451D+01  0.637064D+00
      3   0.276264D+00  0.159265D+01 -0.179319D+01  0.373169D+01  0.141419D+01
               301           302           303           304           305 
      1  -0.495994D-01  0.839259D+01 -0.778409D+00 -0.141346D+01 -0.335860D+01
      2  -0.239469D+01  0.233118D+01  0.134253D+01  0.272671D+00  0.117852D+01
      3   0.396803D+01 -0.100856D+02 -0.155133D+01 -0.397942D+00  0.189931D+01
               306           307           308           309           310 
      1  -0.116829D+00  0.597061D+00  0.169245D+01  0.196996D+01  0.128890D+01
      2   0.611538D+00  0.156420D+01 -0.988786D+00 -0.171710D+01  0.286909D+00
      3  -0.411472D+00 -0.133971D+01 -0.926905D+00  0.884586D+00 -0.113977D+00
               311           312           313           314           315 
      1   0.166793D+00  0.262816D+01 -0.731091D+00 -0.406052D+00 -0.107859D+02
      2   0.972617D+00 -0.838414D+00 -0.270047D+01  0.190766D+01  0.107164D+02
      3  -0.634946D+00 -0.143056D+01  0.244925D+01 -0.710003D+00 -0.156690D+01
               316           317           318           319           320 
      1   0.736569D+00 -0.193373D+01  0.409810D+00 -0.410532D+01  0.774078D+01
      2   0.367045D-01 -0.122626D+01  0.196137D+01 -0.435696D+01  0.885568D+00
      3   0.105934D+01 -0.314478D+01  0.211089D+00 -0.290828D+01  0.107021D+02
               321           322           323           324           325 
      1   0.545720D+00  0.196045D+01 -0.971614D+00  0.268978D+00  0.213666D+01
      2  -0.427419D+00  0.266402D+01 -0.169441D+01 -0.558831D+00  0.390606D+00
      3   0.209532D+01  0.853734D+00 -0.176815D+01  0.394221D+00  0.161952D+01
               326           327           328           329           330 
      1   0.264466D+00 -0.138678D+01 -0.189984D+00  0.612030D-01  0.942354D+00
      2  -0.105192D+01 -0.342169D+01  0.196221D+00 -0.186578D+01  0.228909D+00
      3  -0.215867D+00 -0.178974D+00  0.578939D+00  0.405656D+00  0.168251D+01
               331           332           333 
      1   0.126033D+01  0.200879D+01 -0.203731D+01
      2  -0.258948D+00 -0.243954D+01 -0.150620D+02
      3   0.150875D+01  0.206100D+01  0.157315D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.655337D+01 -0.134381D+02  0.746250D+01 -0.930697D+01  0.258516D+02
      2   0.107824D+02  0.237891D+02 -0.821239D+01  0.175953D+02 -0.377431D+02
      3  -0.422898D+01 -0.103510D+02  0.749892D+00 -0.828836D+01  0.118915D+02
      4  -0.950183D+01  0.587439D+01  0.121144D+02  0.612646D+01  0.123402D+02
      5   0.785897D+01  0.310598D+00 -0.755743D+01 -0.273913D+01 -0.291411D+01
      6   0.135686D+02 -0.870903D+01 -0.530924D+01 -0.382609D+01  0.235468D+02
                 6             7             8             9            10 
      1  -0.122813D+02  0.591686D+01 -0.898055D+01 -0.128115D+01  0.111888D+02
      2   0.227489D+02 -0.599945D+01  0.174359D+02 -0.230607D+01 -0.158852D+02
      3  -0.104676D+02  0.825824D-01 -0.845533D+01  0.358721D+01  0.469640D+01
      4   0.589212D-02  0.104157D+02 -0.161146D+01 -0.383912D+01  0.141178D+01
      5  -0.818966D+00 -0.618522D+01 -0.299141D-01  0.592285D+00 -0.848725D+00
      6  -0.628038D+01 -0.353518D+01 -0.661413D+01 -0.407978D+01 -0.206965D+02
                11            12            13            14            15 
      1   0.107445D+02 -0.427629D+00  0.828528D+01 -0.722672D+00  0.797483D+01
      2  -0.240398D+02 -0.428179D+01 -0.195256D+02 -0.212684D+01 -0.173731D+02
      3   0.132953D+02  0.470942D+01  0.112404D+02  0.284951D+01  0.939825D+01
      4  -0.224899D+02 -0.177543D+02 -0.186395D+02 -0.196544D+02 -0.601569D+01
      5  -0.811015D+01 -0.518795D+01 -0.341524D+01 -0.880334D+01  0.407082D+00
      6  -0.787052D+01  0.489264D+01 -0.451838D+01 -0.155405D+02 -0.847804D+01
                16            17            18            19            20 
      1  -0.136468D+01  0.486667D+01  0.136739D+01 -0.159326D+02 -0.431396D+01
      2  -0.205980D+01 -0.126606D+02 -0.501674D+01  0.106134D+02  0.660155D+01
      3   0.342448D+01  0.779394D+01  0.364935D+01  0.531924D+01 -0.228759D+01
      4  -0.148763D+02 -0.546285D+01  0.223551D+01 -0.704517D+01  0.533373D+01
      5  -0.502732D+01 -0.774697D+00  0.205715D+01 -0.383426D+01  0.256426D+01
      6   0.273562D+01 -0.795850D+01  0.330218D+01  0.453424D+01  0.267814D+01
                21            22            23            24            25 
      1  -0.192871D+01 -0.862097D+01 -0.102400D+02 -0.993331D+01 -0.630923D+00
      2  -0.115933D+00  0.134082D+02  0.913251D+01  0.118372D+02  0.124646D+01
      3   0.204464D+01 -0.478722D+01  0.110747D+01 -0.190394D+01 -0.615532D+00
      4   0.214503D+01  0.770267D+01  0.939983D+01  0.514140D+01  0.622148D+00
      5   0.444556D+01  0.154927D+01  0.850629D+01  0.168412D+01  0.360478D+01
      6   0.220218D+01  0.412437D+01  0.809162D+01  0.702170D+01  0.291440D-01
                26            27            28            29            30 
      1  -0.530165D+01  0.345405D+01 -0.963092D+01  0.757317D-01 -0.566662D+01
      2   0.494306D+01  0.105043D+02  0.317855D+01 -0.611083D-01  0.566775D+01
      3   0.358591D+00 -0.139584D+02  0.645237D+01 -0.146234D-01 -0.113698D-02
      4   0.364050D+01 -0.346885D-01  0.280430D-01 -0.628126D+01  0.376277D+01
      5   0.571992D+00 -0.374398D+01 -0.364528D+01  0.241665D+01 -0.346910D+01
      6   0.565708D+01 -0.608941D+01  0.238855D+01  0.374872D+01 -0.349683D-01
                31            32            33            34            35 
      1   0.198892D-01  0.304197D+01  0.376967D+01 -0.777871D+01  0.530769D+01
      2  -0.103158D-01 -0.948997D+01 -0.379454D+01  0.778902D+01 -0.531159D+01
      3  -0.957343D-02  0.644800D+01  0.248740D-01 -0.103111D-01  0.389416D-02
      4  -0.639823D+01 -0.131934D-02  0.569753D+01  0.529878D+01  0.775422D+01
      5   0.239660D+01  0.372153D+01  0.186974D-01  0.332278D+01 -0.405506D-01
      6   0.368427D+01 -0.250805D+01 -0.342413D+01 -0.295508D-01  0.336440D+01
                36            37            38            39            40 
      1   0.850180D+00 -0.191104D+01  0.133772D+01  0.109825D+01  0.579853D+01
      2   0.893112D+00 -0.528554D+01 -0.109927D+01 -0.370623D+01 -0.806695D+01
      3  -0.174329D+01  0.719658D+01 -0.238440D+00  0.260798D+01  0.226843D+01
      4  -0.307545D-01  0.113894D+02 -0.478066D+01 -0.233973D+01 -0.700452D+01
      5  -0.424015D-01 -0.424895D+01  0.243778D+01  0.341829D+01  0.391404D+01
      6  -0.257371D-01 -0.105131D+01 -0.637813D+00 -0.637348D+00  0.388868D+00
                41            42            43            44            45 
      1  -0.190157D+02  0.107403D+02  0.176009D+01  0.610321D+01  0.459696D+01
      2   0.197302D+02 -0.116777D+02 -0.110170D+01 -0.606291D+01  0.932959D+01
      3  -0.714414D+00  0.937340D+00 -0.658390D+00 -0.403021D-01 -0.139265D+02
      4   0.312617D+01 -0.343705D+01 -0.307537D+00 -0.116150D+01  0.249696D+01
      5   0.368361D+01 -0.195229D+00  0.371800D+01  0.304138D+00 -0.111674D+01
      6  -0.121771D+02  0.794719D+01  0.793434D+00  0.544132D+01  0.711908D+01
                46            47            48            49            50 
      1   0.431163D+01  0.100504D+02  0.101886D+02  0.423233D+01  0.139494D+02
      2  -0.646815D+01 -0.487302D+01 -0.803604D+01 -0.142955D+01 -0.182647D+02
      3   0.215652D+01 -0.517738D+01 -0.215259D+01 -0.280278D+01  0.431537D+01
      4   0.914710D+01  0.118573D+02  0.737013D+01  0.822749D+01 -0.995637D+00
      5   0.610600D+01  0.397440D+01  0.641361D+01  0.248628D+01  0.579468D+01
      6   0.862970D+01  0.358455D+01  0.190420D+01  0.441546D+01 -0.245724D+01
                51            52            53            54            55 
      1   0.614748D+00  0.355436D+01  0.153697D+01  0.103600D+02  0.716639D+01
      2  -0.242668D+01 -0.402805D+01 -0.101156D+01  0.356623D+01 -0.668237D+01
      3   0.181193D+01  0.473682D+00 -0.525408D+00 -0.139262D+02 -0.484020D+00
      4   0.325451D+01  0.465786D+01  0.142758D+01  0.858228D+00 -0.126200D+02
      5   0.243404D+01  0.551638D+01  0.288241D+00 -0.560001D+01 -0.129326D+02
      6   0.494069D+01  0.825945D+00  0.370351D+01 -0.449186D+01 -0.894479D+01
                56            57            58            59            60 
      1  -0.112546D+02 -0.153478D+02 -0.150841D+02 -0.196371D+02 -0.166387D+01
      2   0.708102D+00  0.662145D+01  0.226042D+01  0.117487D+02 -0.422356D+01
      3   0.105465D+02  0.872634D+01  0.128236D+02  0.788843D+01  0.588744D+01
      4  -0.229475D+02 -0.666482D+01 -0.277569D+02 -0.869003D+01 -0.186578D+02
      5  -0.300350D+01 -0.900646D+01 -0.588242D+01 -0.216852D+02  0.435711D+01
      6  -0.468081D+01 -0.790811D-01 -0.974285D+01 -0.535060D+01 -0.455213D+01
                61            62            63            64            65 
      1  -0.112559D+02  0.381180D+00 -0.538456D+01 -0.437506D+02  0.811075D+01
      2   0.388603D+01 -0.477932D+01  0.182091D+01  0.297380D+02 -0.224450D+01
      3   0.736989D+01  0.439814D+01  0.356365D+01  0.140126D+02 -0.586625D+01
      4  -0.555766D+01 -0.152917D+02  0.144835D+01  0.908691D+00  0.103341D+02
      5  -0.810921D+01  0.240863D+01  0.303165D+01  0.251387D+02 -0.176210D+01
      6  -0.113402D+01 -0.481180D+01  0.248158D+01  0.868010D+00 -0.430804D+01
                66            67            68            69            70 
      1   0.233861D+02  0.141663D+02  0.169248D+02 -0.807614D+01  0.186098D+02
      2  -0.129268D+02 -0.621024D+01 -0.105480D+02  0.868598D+01 -0.101149D+02
      3  -0.104593D+02 -0.795603D+01 -0.637686D+01 -0.609839D+00 -0.849490D+01
      4   0.322524D+01  0.115532D+02 -0.421794D+01  0.101258D+02  0.805624D+00
      5  -0.557110D+01 -0.699228D+01  0.109733D+02 -0.504112D+01 -0.624149D+01
      6  -0.554771D+00 -0.200651D+01  0.885416D+01 -0.829483D+01 -0.410770D-01
                71            72            73            74            75 
      1  -0.613310D+01 -0.137487D+01  0.187937D+02 -0.245128D+01 -0.100007D+02
      2   0.715284D+01 -0.225239D+01 -0.178852D+02  0.124883D+01  0.940521D+01
      3  -0.101974D+01  0.362727D+01 -0.908523D+00  0.120245D+01  0.595454D+00
      4   0.871161D+01 -0.385308D+01  0.990770D+01 -0.867373D+01 -0.581535D+01
      5  -0.353225D+01 -0.407597D+01 -0.123494D+02 -0.173034D+01  0.802849D+01
      6  -0.664904D+01  0.851067D-01  0.115927D+01  0.462994D+01  0.414373D+00
                76            77            78            79            80 
      1   0.343755D+01 -0.855622D+01 -0.427375D+01 -0.562442D+01 -0.175220D+01
      2  -0.220712D+01  0.119900D+01  0.156385D+01  0.549685D+01  0.241036D+01
      3  -0.123044D+01  0.735722D+01  0.270990D+01  0.127577D+00 -0.658164D+00
      4  -0.514264D+01  0.876180D+01 -0.363425D+01 -0.259812D+01 -0.102704D+01
      5  -0.233240D+01 -0.804411D+00 -0.109260D+00  0.539832D+01  0.100353D+01
      6   0.308068D+01 -0.339553D+01  0.339169D+01  0.507000D+00  0.391093D+01
                81            82            83            84            85 
      1   0.869518D+01 -0.659985D+00  0.495863D+01  0.289804D+01  0.685852D+01
      2   0.526621D+01 -0.459070D+01 -0.984977D+01 -0.236364D+00 -0.924831D+01
      3  -0.139614D+02  0.525068D+01  0.489114D+01 -0.266168D+01  0.238979D+01
      4   0.299612D+01 -0.273386D+01  0.104266D+02 -0.947791D+01  0.452450D+01
      5   0.711747D+01  0.183926D+01 -0.493129D+00  0.468311D+01  0.120975D+01
      6  -0.204365D+00 -0.529466D+01  0.706685D+01 -0.181389D+01  0.722504D+01
                86            87            88            89            90 
      1   0.684450D+01  0.110598D+01 -0.781995D+00  0.218266D+00  0.877740D+01
      2  -0.798931D+01 -0.304761D+00  0.135156D+00 -0.613359D+00  0.519846D+01
      3   0.114481D+01 -0.801220D+00  0.646839D+00  0.395093D+00 -0.139759D+02
      4  -0.182856D+02  0.759832D+01 -0.486702D+01  0.402911D+01 -0.301193D+01
      5   0.674528D+01 -0.231521D+01  0.488949D+01 -0.745162D+00 -0.340819D+01
      6  -0.507606D+01  0.672833D+01 -0.130484D+01  0.438418D+01  0.631464D+01
                91            92            93            94            95 
      1   0.581846D+01 -0.127316D+02 -0.110351D+02 -0.133031D+02 -0.624799D+00
      2   0.163838D+01  0.169837D+02  0.535925D+01  0.197374D+02 -0.143399D+02
      3  -0.745683D+01 -0.425208D+01  0.567587D+01 -0.643428D+01  0.149647D+02
      4  -0.103166D+02 -0.912847D+01  0.671971D+01 -0.142869D+02  0.317334D+02
      5  -0.887893D+01 -0.280079D+01 -0.999452D+01 -0.211230D+01 -0.176293D+02
      6   0.727433D+01 -0.296355D+01  0.235556D+01 -0.883807D+01  0.192623D+02
                96            97            98            99           100 
      1  -0.755867D+01 -0.849457D+01 -0.762770D+01 -0.540241D+01 -0.273187D+02
      2   0.163726D+02  0.351212D+01  0.144081D+02  0.168187D+01  0.112724D+02
      3  -0.881393D+01  0.498245D+01 -0.678045D+01  0.372054D+01  0.160463D+02
      4  -0.161971D+02  0.497273D+01 -0.116698D+02  0.157490D+01  0.301675D+02
      5  -0.210762D+01 -0.797421D+01 -0.102815D+01  0.218328D+01  0.224802D+02
      6  -0.379964D+01  0.247923D+01 -0.477856D+01 -0.373805D+01 -0.139514D+02
               101           102           103           104           105 
      1   0.186735D+02  0.194544D+02  0.149224D+02  0.948061D+01  0.584541D+01
      2  -0.152260D+02 -0.100436D+02 -0.135958D+02 -0.122162D+01 -0.103992D+02
      3  -0.344757D+01 -0.941075D+01 -0.132662D+01 -0.825899D+01  0.455377D+01
      4  -0.436548D+01 -0.134385D+02  0.112607D+00 -0.112996D+02  0.695245D+01
      5  -0.653259D+01 -0.388849D+01 -0.842744D+00  0.714464D+01  0.319036D+01
      6  -0.402340D+01 -0.131220D+01 -0.389229D+01 -0.893960D+01 -0.985457D+01
               106           107           108           109           110 
      1   0.166709D+02  0.426746D+01  0.125550D+01 -0.235078D+00 -0.962197D+01
      2  -0.928237D+01 -0.835337D+01 -0.491313D+01 -0.920722D-01  0.789166D+01
      3  -0.738855D+01  0.408591D+01  0.365763D+01  0.327150D+00  0.173031D+01
      4  -0.919252D+01  0.525551D+01  0.238360D+01 -0.206151D+02  0.259236D-01
      5  -0.496570D+01  0.286396D+01 -0.401438D+01 -0.761342D+01  0.674970D+01
      6  -0.691599D+00 -0.777308D+01  0.168620D+01  0.558948D+01  0.272656D+01
               111           112           113           114           115 
      1  -0.244573D+01 -0.116851D+02 -0.677287D+01  0.197765D+01 -0.174579D+01
      2   0.294804D+01  0.755414D+01  0.624077D+00  0.785464D+00  0.147564D+01
      3  -0.502307D+00  0.413096D+01  0.614879D+01 -0.276311D+01  0.270150D+00
      4   0.833282D+01  0.574116D+01 -0.210059D+01 -0.849901D+01  0.429031D+01
      5   0.720142D+01  0.678181D+01 -0.362794D+01 -0.149656D+01  0.456686D+01
      6  -0.199751D+01  0.106468D+01  0.154738D+01  0.419652D+01 -0.764792D+00
               116           117           118           119           120 
      1   0.116205D+01  0.597719D+01  0.783406D+02 -0.137387D+01 -0.197993D+02
      2  -0.183542D+01  0.798644D+01 -0.449685D+02  0.180538D+01  0.135737D+02
      3   0.673369D+00 -0.139636D+02 -0.333721D+02 -0.431509D+00  0.622565D+01
      4  -0.397156D+01 -0.334397D+01  0.926506D+01  0.811432D+01 -0.209804D+01
      5  -0.134646D+01  0.676977D+01 -0.311171D+02  0.545659D+00  0.181856D+02
      6   0.461974D+01 -0.261381D+01 -0.327155D+01 -0.171650D+01  0.285719D+01
               121           122           123           124           125 
      1  -0.131019D+02  0.721604D+01  0.460323D+01 -0.163924D+02  0.105588D+01
      2   0.910835D+01 -0.393920D+01 -0.441863D+01  0.132187D+02 -0.172793D+01
      3   0.399352D+01 -0.327684D+01 -0.184598D+00  0.317375D+01  0.672046D+00
      4   0.930931D+01 -0.102920D+01 -0.438785D+01 -0.238079D+01 -0.346863D+01
      5   0.577009D+01 -0.565571D+01 -0.281173D+01  0.213898D+02  0.500382D-01
      6  -0.251119D+01 -0.768580D+00  0.267772D+01  0.300100D+01  0.264609D+01
               126           127           128           129           130 
      1   0.128062D+02  0.563562D+00  0.535832D+01 -0.714926D+01  0.469225D+01
      2  -0.105148D+02  0.458517D+00 -0.375232D+01  0.352551D+01 -0.156330D+01
      3  -0.229141D+01 -0.102208D+01 -0.160599D+01  0.362376D+01 -0.312895D+01
      4   0.192006D+01  0.213245D+01  0.192098D+00 -0.137413D+01  0.710914D+01
      5  -0.128941D+02 -0.466347D+01 -0.898732D+00  0.581138D+00 -0.342553D+01
      6  -0.149165D+01 -0.344880D+01  0.261341D+01 -0.189262D+01 -0.197503D+01
               131           132           133           134           135 
      1  -0.130644D+02  0.732334D+01 -0.632441D+01  0.530188D+01 -0.652877D+01
      2   0.178971D+02 -0.601730D+01  0.345132D+01 -0.328885D+01  0.200048D+01
      3  -0.483270D+01 -0.130604D+01  0.287309D+01 -0.201303D+01  0.452829D+01
      4   0.220914D+02 -0.100865D+02 -0.435639D+01 -0.857307D+01  0.786579D+01
      5  -0.100544D+02  0.117033D+02  0.478780D+01  0.836174D+01 -0.104171D+02
      6  -0.164810D+02  0.124084D+02  0.136664D+01  0.109240D+02 -0.107730D+02
               136           137           138           139           140 
      1   0.322912D+02  0.157638D+02  0.930688D+01  0.195679D+02  0.110663D+02
      2  -0.119582D+02 -0.303960D+01 -0.449212D+01 -0.225115D+01  0.510227D+01
      3  -0.203330D+02 -0.127242D+02 -0.481476D+01 -0.173168D+02 -0.161686D+02
      4   0.297935D+02  0.221277D+02  0.893064D+01  0.318794D+02  0.328966D+02
      5   0.173459D+02  0.889326D+01  0.123797D+02  0.126830D+02  0.142062D+02
      6   0.783615D+01  0.548188D+01  0.459581D+01  0.935684D+01  0.113351D+02
               141           142           143           144           145 
      1   0.340646D+01  0.826938D+01  0.212260D+01  0.601198D+01  0.142398D+02
      2   0.542457D+00 -0.525198D+01 -0.662914D+00 -0.374694D+01 -0.961778D+01
      3  -0.394891D+01 -0.301740D+01 -0.145969D+01 -0.226504D+01 -0.462206D+01
      4   0.138553D+02  0.962497D+01  0.102316D+02  0.108140D+02 -0.530056D+01
      5   0.102834D+02  0.159835D+02  0.101856D+02  0.113226D+02  0.118154D+02
      6   0.839419D+01  0.721400D+01  0.816117D+01  0.674530D+01 -0.941684D+00
               146           147           148           149           150 
      1  -0.619206D+01  0.813714D+01 -0.133125D+02  0.791285D+01 -0.304054D+01
      2   0.448989D+01 -0.600723D+01  0.100804D+02 -0.676435D+01  0.630506D+01
      3   0.170217D+01 -0.212991D+01  0.323209D+01 -0.114850D+01 -0.326452D+01
      4   0.741703D+01 -0.164827D+01  0.106536D+02 -0.158581D+02  0.101317D+02
      5  -0.383871D+01  0.969943D+01 -0.863740D+01  0.120442D+02 -0.137491D+02
      6   0.195380D+01 -0.177717D+00  0.408406D+01 -0.585050D+01  0.330112D+01
               151           152           153           154           155 
      1   0.940402D+01 -0.690157D+00  0.422618D+01  0.518683D+01 -0.499622D+01
      2  -0.827133D+01  0.404035D+01 -0.875922D+01  0.391897D+01 -0.481916D+01
      3  -0.113269D+01 -0.335019D+01  0.453303D+01 -0.910580D+01  0.981538D+01
      4  -0.101608D+01  0.726013D+01 -0.618475D+01 -0.164782D+02  0.186263D+02
      5   0.117988D+02 -0.774729D+01  0.148621D+02  0.734268D+01 -0.551896D+01
      6  -0.746087D+00  0.395854D+01 -0.220878D+01 -0.642415D+01  0.450378D+01
               156           157           158           159           160 
      1   0.351134D+01 -0.141688D+01 -0.135701D+02  0.592683D+01  0.163835D+01
      2  -0.591720D+00 -0.129985D+02  0.410043D+02 -0.114271D+02  0.535276D+00
      3  -0.291962D+01  0.144153D+02 -0.274341D+02  0.550032D+01 -0.217362D+01
      4  -0.618524D+01  0.266377D+02 -0.456984D+02  0.143245D+02 -0.746835D+01
      5   0.652149D+01 -0.758614D+01  0.144948D+02 -0.957964D+01  0.864851D+01
      6  -0.380775D+01  0.960821D+01 -0.234357D+02  0.143068D+02 -0.738365D+01
               161           162           163           164           165 
      1   0.526961D+01 -0.303608D+01  0.245955D+02  0.673206D+01  0.100029D+02
      2  -0.768016D+01  0.532335D+01 -0.186881D+02 -0.701684D+01 -0.938136D+01
      3   0.241055D+01 -0.228727D+01 -0.590742D+01  0.284780D+00 -0.621529D+00
      4   0.118642D+02 -0.110513D+02 -0.292370D+01  0.516599D+01 -0.198636D+01
      5  -0.103575D+02  0.773753D+01  0.164587D+02  0.306352D+01  0.138013D+02
      6   0.153787D+02 -0.104223D+02 -0.265870D+01  0.174659D+01 -0.420160D+01
               166           167           168           169           170 
      1   0.143453D+02  0.700009D+01  0.544477D+01  0.865944D+01  0.184580D+01
      2  -0.130750D+02 -0.709748D+01 -0.928245D+01 -0.901816D+01 -0.533034D+01
      3  -0.127036D+01  0.973933D-01  0.383768D+01  0.358725D+00  0.348454D+01
      4   0.292351D+01  0.422659D+01  0.499164D+01 -0.366254D+01  0.523826D+01
      5   0.835108D+01  0.815462D+01  0.956863D+01  0.135561D+02  0.369158D+01
      6   0.188500D+01 -0.108527D+00 -0.754648D+00 -0.329281D+01  0.210938D+01
               171           172           173           174           175 
      1   0.669447D+01  0.549907D+02 -0.135224D+02 -0.148442D+02 -0.374050D+01
      2  -0.111568D+02 -0.247255D+02  0.190181D+01  0.902227D+01 -0.345101D+01
      3   0.446229D+01 -0.302652D+02  0.116206D+02  0.582189D+01  0.719150D+01
      4  -0.263728D+00 -0.421509D+02  0.207621D+02  0.123113D+02  0.148373D+02
      5   0.143533D+02 -0.268276D+02  0.791674D+01  0.159017D+02  0.273994D+01
      6  -0.349492D+01  0.126484D+02 -0.543029D+01 -0.834120D+01 -0.412642D+01
               176           177           178           179           180 
      1   0.507230D+01 -0.792362D+00 -0.107638D+02  0.107301D+01  0.802761D+01
      2   0.136708D+01  0.298854D+01  0.811280D+01  0.736216D+00 -0.572815D+01
      3  -0.643938D+01 -0.219617D+01  0.265100D+01 -0.180922D+01 -0.229946D+01
      4  -0.112978D+02 -0.497004D+01  0.106138D+02 -0.596476D+01 -0.959570D+01
      5  -0.557678D+01 -0.263789D+01  0.175539D+02 -0.621900D+01 -0.113053D+02
      6   0.516480D+01  0.495221D+01 -0.916409D+01  0.646841D+01  0.628540D+01
               181           182           183           184           185 
      1  -0.524177D+01 -0.117898D+02 -0.907686D+01 -0.659061D+01 -0.198365D+02
      2   0.520518D+01  0.122119D+02  0.521199D+01  0.546370D+01  0.258331D+02
      3   0.365889D-01 -0.422090D+00  0.386486D+01  0.112691D+01 -0.599666D+01
      4   0.163865D+01  0.728183D+00  0.343912D+01  0.465095D+01 -0.802625D+01
      5  -0.151539D+01  0.121358D+01 -0.122625D+01  0.180657D+01 -0.448058D+01
      6   0.666077D+01  0.725243D+01  0.758879D+01  0.202037D+01  0.174079D+02
               186           187           188           189           190 
      1  -0.980243D+01 -0.549782D+01 -0.857752D+01 -0.107915D+02 -0.119055D+01
      2   0.996469D+01  0.206103D+01  0.782956D+01  0.631781D+01  0.135195D+02
      3  -0.162255D+00  0.343679D+01  0.747960D+00  0.447369D+01 -0.123290D+02
      4  -0.403003D+01  0.489988D+01 -0.531479D+01 -0.254403D+01  0.247414D+02
      5  -0.612256D+01  0.224233D+01 -0.477256D+01 -0.537814D+01  0.777014D+01
      6   0.141985D+02  0.220519D+01  0.134341D+02  0.138104D+02  0.125901D+02
               191           192           193           194           195 
      1  -0.770234D+01 -0.210628D+01 -0.609571D+01 -0.211339D+02 -0.692659D+01
      2   0.238980D+02  0.539102D+01  0.177984D+02  0.453439D+02  0.122340D+02
      3  -0.161956D+02 -0.328474D+01 -0.117027D+02 -0.242100D+02 -0.530744D+01
      4   0.281626D+02  0.120118D+02  0.192428D+02  0.293230D+02  0.849292D+01
      5   0.792796D+01  0.654371D+01  0.459545D+01  0.712942D+01  0.382725D+01
      6   0.130384D+02  0.951140D+01  0.880403D+01  0.212656D+02  0.142394D+02
               196           197           198           199           200 
      1  -0.225716D+01 -0.789818D+01 -0.638027D+01 -0.369880D+01  0.750908D+01
      2   0.333074D+01  0.111104D+02  0.863848D+01  0.553398D+01 -0.111109D+02
      3  -0.107358D+01 -0.321221D+01 -0.225821D+01 -0.183517D+01  0.360182D+01
      4   0.851471D+01  0.877528D+01  0.921987D+01 -0.198890D+02  0.117509D+02
      5   0.606821D+01  0.592164D+01  0.523590D+01 -0.827488D+01  0.440639D+01
      6   0.891995D+01  0.181131D+02  0.121478D+02  0.126749D+02 -0.793897D+01
               201           202           203           204           205 
      1   0.422124D+01  0.298932D+01 -0.661820D+01 -0.477478D+01  0.305137D+01
      2  -0.126987D+01 -0.508004D+01  0.106490D+02  0.723246D+01  0.118202D+00
      3  -0.295137D+01  0.209073D+01 -0.403081D+01 -0.245768D+01 -0.316957D+01
      4   0.113350D+02  0.694826D+01 -0.560035D+01 -0.198192D+01  0.791974D+01
      5   0.520391D+01  0.165560D+01 -0.163603D+01 -0.765482D+00  0.515976D+01
      6  -0.143669D+02 -0.344675D+01  0.999399D+01  0.780592D+01 -0.856442D+01
               206           207           208           209           210 
      1  -0.724450D+01 -0.696092D+01 -0.499043D+01  0.117353D+02 -0.490731D+01
      2   0.867815D+01  0.244992D+01  0.923003D+01 -0.196350D+02  0.590377D+01
      3  -0.143365D+01  0.451100D+01 -0.423959D+01  0.789965D+01 -0.996460D+00
      4  -0.223259D+01 -0.759950D+01 -0.515994D+01  0.120882D+02 -0.568737D+01
      5  -0.158612D+01 -0.411627D+01  0.642378D+00 -0.326661D+01  0.295238D+01
      6   0.105498D+02  0.143983D+02 -0.692336D+01  0.866411D+01 -0.483866D+01
               211           212           213           214           215 
      1   0.494245D+01 -0.438182D+02  0.130144D+02 -0.250679D+01  0.130782D+02
      2  -0.834427D+01  0.762503D+02 -0.191657D+02  0.224125D+01 -0.162974D+02
      3   0.340182D+01 -0.324321D+02  0.615126D+01  0.265535D+00  0.321919D+01
      4   0.846496D+01 -0.429700D+01  0.154327D+01 -0.388057D+01  0.101279D+01
      5  -0.178349D+01  0.143596D+00  0.863631D+00  0.256986D+01  0.538100D+00
      6   0.350502D+01 -0.300884D+02  0.179173D+02 -0.242730D+01  0.214353D+02
               216           217           218           219           220 
      1  -0.106044D+02  0.123534D+02 -0.162999D+01 -0.365905D+01 -0.202745D+01
      2   0.128949D+02 -0.819114D+01  0.516736D+01  0.543034D+01  0.404186D+01
      3  -0.229052D+01 -0.416231D+01 -0.353736D+01 -0.177129D+01 -0.201441D+01
      4  -0.116484D+01  0.242687D+02  0.898016D+01 -0.113670D+02  0.186645D+01
      5   0.205399D+00 -0.149717D+02 -0.310552D+01  0.109476D+02  0.113563D+01
      6  -0.129558D+02 -0.114538D+02 -0.446100D+01  0.130639D+02 -0.135571D+01
               221           222           223           224           225 
      1  -0.795678D+00  0.325880D+01 -0.148760D+01  0.424755D+01 -0.179060D+00
      2   0.249015D+01 -0.669063D+01  0.385129D+01 -0.683386D+01 -0.433167D+01
      3  -0.169447D+01  0.343184D+01 -0.236369D+01  0.258631D+01  0.451072D+01
      4   0.306820D+01 -0.140769D+01 -0.891739D+01 -0.415176D+01  0.869197D+01
      5  -0.284023D+01 -0.544966D+00  0.955830D+01  0.199504D+01 -0.931888D+01
      6  -0.572237D+01  0.203756D+01  0.898692D+01  0.615476D+01 -0.117190D+02
               226           227           228           229           230 
      1   0.118385D+02  0.172063D+01 -0.145835D+01 -0.206408D+01  0.225465D+01
      2  -0.378398D+01 -0.717211D+01  0.426355D+00 -0.152432D+01  0.254920D+01
      3  -0.805451D+01  0.545148D+01  0.103199D+01  0.358840D+01 -0.480385D+01
      4  -0.225714D+02  0.101307D+02 -0.396829D+01  0.856944D+01 -0.674232D+01
      5   0.104283D+02 -0.446888D+01  0.422739D+01 -0.229654D+01  0.114841D+01
      6  -0.361228D+01  0.632781D+01 -0.527126D+01  0.140726D+01  0.288556D+00
               231           232           233           234           235 
      1  -0.133362D+01 -0.903568D+00 -0.357323D+01  0.142191D+01 -0.712591D+00
      2   0.139575D+01 -0.170962D+01  0.607399D+01 -0.315088D+01 -0.212226D+01
      3  -0.621311D-01  0.261318D+01 -0.250076D+01  0.172897D+01  0.283485D+01
      4   0.123408D+01  0.194460D+01 -0.439670D+00 -0.302877D+01 -0.116268D+01
      5  -0.125937D+01  0.208811D+01 -0.580392D+00  0.173943D+01  0.155467D+01
      6   0.934466D+00 -0.252659D+01 -0.849662D+00 -0.307541D+00 -0.243485D+01
               236           237           238           239           240 
      1  -0.286119D+01  0.188913D+01 -0.167341D+01  0.122569D+01 -0.143801D+01
      2   0.287615D+01 -0.814836D+00  0.110603D+01 -0.411231D+01 -0.283463D+01
      3  -0.149589D-01 -0.107429D+01  0.567383D+00  0.288663D+01  0.427264D+01
      4   0.231487D+01 -0.299185D+01  0.271107D+00 -0.765248D-01  0.191590D-01
      5  -0.930681D+00  0.486427D+01 -0.247928D+00 -0.120368D+01  0.101364D+01
      6  -0.123840D+01  0.913460D+00 -0.889408D+00  0.639762D+00  0.117427D+01
               241           242           243           244           245 
      1  -0.973555D+00  0.591836D+01 -0.161750D+02  0.280606D+02 -0.195214D+01
      2  -0.294872D+01 -0.371414D+01 -0.181752D+02 -0.172746D+02  0.491399D+01
      3   0.392227D+01 -0.220422D+01  0.343501D+02 -0.107860D+02 -0.296185D+01
      4  -0.365431D+01  0.379967D+00 -0.309070D+01  0.153121D+02  0.596286D+01
      5   0.425992D+01 -0.909820D+00  0.545412D+01  0.127735D+02  0.163835D+01
      6  -0.326294D+01  0.731241D+01 -0.219213D+02  0.931069D+00  0.344617D+01
               246           247           248           249           250 
      1   0.217205D+01 -0.616808D+00  0.454241D+01  0.104912D+01 -0.147641D+01
      2  -0.315412D+01  0.174979D+01 -0.246621D+01 -0.709999D+00 -0.187929D+01
      3   0.982062D+00 -0.113298D+01 -0.207620D+01 -0.339117D+00  0.335570D+01
      4   0.316001D+01  0.153880D+01  0.143441D-01 -0.140023D+01 -0.293027D+01
      5   0.604449D+01 -0.223595D+01 -0.801963D+00 -0.853251D+00  0.277962D+01
      6   0.314416D+01 -0.262668D+00 -0.229104D+01 -0.887566D+00  0.103346D+01
               251           252           253           254           255 
      1   0.263613D+01  0.291087D+01  0.180651D+01  0.310361D+01  0.396670D+01
      2  -0.393881D+01 -0.462637D+01 -0.444509D+01 -0.321807D+01 -0.134004D+01
      3   0.130268D+01  0.171550D+01  0.263858D+01  0.114461D+00 -0.262666D+01
      4  -0.277291D+01  0.536150D+00 -0.416598D+00 -0.975998D+00  0.125780D+01
      5  -0.903323D+00  0.172526D+01  0.191209D+01 -0.974318D+00  0.363773D+01
      6  -0.150666D+01 -0.391633D+00  0.527587D+00 -0.176833D+01 -0.193469D+01
               256           257           258           259           260 
      1   0.922200D+00 -0.139904D+01  0.148907D+00 -0.396816D+00 -0.441424D+01
      2  -0.454105D+00 -0.167720D+01  0.337978D+01 -0.407880D+01  0.388907D+01
      3  -0.468095D+00  0.307624D+01 -0.352869D+01  0.447562D+01  0.525174D+00
      4  -0.138289D+01 -0.109220D+01  0.261165D-01  0.314540D+01  0.267053D+01
      5  -0.147507D+01 -0.899351D+00 -0.203902D+01  0.619041D+01  0.137146D+01
      6  -0.119201D+01  0.988242D+00  0.240191D+01  0.372685D+01  0.538047D+01
               261           262           263           264           265 
      1  -0.142751D+02  0.210620D+02  0.827179D+01 -0.202528D+01  0.128776D+02
      2  -0.200756D+02 -0.115311D+02 -0.553478D+01  0.259292D+01 -0.828724D+01
      3   0.343507D+02 -0.953088D+01 -0.273701D+01 -0.567643D+00 -0.459035D+01
      4   0.147321D+01  0.942364D+01  0.947312D+01 -0.214072D+01  0.621085D+01
      5   0.134471D+02 -0.673262D+01 -0.330661D+01  0.460041D+01 -0.863936D+01
      6   0.181354D+02 -0.352332D+01 -0.340903D+01  0.104534D+01 -0.285867D+01
               266           267           268           269           270 
      1   0.700105D+01 -0.275471D+01  0.506913D+01  0.733022D+00  0.621112D+00
      2  -0.370245D+01  0.362287D+01 -0.160375D+01  0.293701D+00 -0.236527D+01
      3  -0.329860D+01 -0.868163D+00 -0.346538D+01 -0.102672D+01  0.174415D+01
      4   0.119137D+02 -0.145913D+00 -0.310968D+01  0.249712D+01  0.350297D+01
      5  -0.201995D+01  0.505385D+01  0.125010D+01  0.302416D+01 -0.116422D+01
      6  -0.484964D+01  0.582432D+00  0.107757D+01  0.204905D-01 -0.135688D+01
               271           272           273           274           275 
      1  -0.204501D+01  0.565289D+00 -0.339489D+01  0.131209D+01 -0.141128D+01
      2  -0.574408D+00 -0.123804D+00 -0.845567D+00 -0.143179D+01 -0.167726D+01
      3   0.261942D+01 -0.441485D+00  0.424045D+01  0.119701D+00  0.308854D+01
      4   0.420176D+01 -0.377704D+00 -0.822042D+00  0.191414D+01 -0.692173D+00
      5   0.696683D+00 -0.141191D+01  0.126106D+01 -0.144386D+01 -0.243424D+01
      6  -0.390270D+00 -0.517767D+00  0.106638D+01 -0.128581D+01  0.993740D+00
               276           277           278           279           280 
      1  -0.881720D+00 -0.177237D+01  0.194519D+00 -0.150101D+02 -0.442656D+01
      2   0.206577D+01  0.563564D+01  0.209147D+01 -0.193506D+02  0.690552D+01
      3  -0.118405D+01 -0.386328D+01 -0.228599D+01  0.343607D+02 -0.247896D+01
      4  -0.261251D+01  0.210668D+01 -0.431007D+01  0.240741D+01  0.862543D+01
      5   0.114886D+01  0.835428D+01  0.892609D+00 -0.217033D+02 -0.390325D+01
      6   0.479143D+01 -0.145292D+01  0.321856D+01  0.624312D+01 -0.101692D+01
               281           282           283           284           285 
      1  -0.836365D+01  0.307210D+01 -0.660985D+01 -0.155046D+02  0.347150D+01
      2   0.120831D+02 -0.230428D+01  0.842575D+01  0.258942D+02 -0.279009D+01
      3  -0.371943D+01 -0.767822D+00 -0.181591D+01 -0.103896D+02 -0.681408D+00
      4   0.372369D+01  0.915079D+00  0.787729D+01  0.636974D+01 -0.136101D+01
      5  -0.185611D+01 -0.160752D+00 -0.312109D+01 -0.325249D+01  0.421451D+00
      6  -0.812824D+01  0.441437D+01 -0.292656D+01 -0.862204D+01  0.528726D+01
               286           287           288           289           290 
      1  -0.309977D+00 -0.762404D+00 -0.320852D+01 -0.125901D+01 -0.183447D+01
      2   0.873545D+00  0.434463D+01  0.148628D+01 -0.186433D+01  0.164558D+01
      3  -0.563568D+00 -0.358222D+01  0.172224D+01  0.312334D+01  0.188898D+00
      4   0.287802D+01 -0.350097D+01  0.299182D+01 -0.742616D+00  0.839599D+00
      5  -0.511083D+00  0.840592D+00 -0.119395D+01  0.143699D+01 -0.836967D+00
      6   0.278253D+01  0.173859D+01 -0.129317D+01 -0.184645D+01 -0.193325D+01
               291           292           293           294           295 
      1   0.277147D+01  0.429498D-01 -0.193549D+01 -0.300400D+00  0.251827D+01
      2  -0.101727D+01  0.338911D+00 -0.656782D+00 -0.371584D+01 -0.717210D+00
      3  -0.175420D+01 -0.381861D+00  0.259227D+01  0.401624D+01 -0.180106D+01
      4  -0.207035D+01 -0.110509D+01  0.429178D+01 -0.737368D+00 -0.428822D+01
      5   0.443831D+01 -0.836994D-01 -0.623379D+00  0.147015D+01  0.336616D+01
      6   0.158920D+01 -0.178838D+01  0.172593D+00  0.163018D+01  0.265517D+00
               296           297           298           299           300 
      1   0.535873D+01 -0.199192D+02 -0.325902D+01  0.354511D+01  0.189058D+00
      2  -0.120324D+01 -0.144190D+02  0.492903D+01 -0.361007D+01  0.265091D+00
      3  -0.415549D+01  0.343383D+02 -0.167001D+01  0.649593D-01 -0.454149D+00
      4   0.245072D+01  0.177903D+01 -0.186386D+01  0.392106D+00 -0.185301D+01
      5  -0.210747D+01  0.897252D+01 -0.257732D+01 -0.200223D+00 -0.105753D+01
      6   0.821823D+01 -0.207469D+02 -0.819846D+00 -0.404574D+01 -0.178033D+01
               301           302           303           304           305 
      1   0.556159D+01 -0.195731D+02 -0.390945D+01 -0.291356D+01 -0.152807D+01
      2  -0.376835D+01  0.307171D+02  0.298931D+01  0.205667D+01 -0.196417D+01
      3  -0.179324D+01 -0.111440D+02  0.920135D+00  0.856887D+00  0.349223D+01
      4   0.523278D+01  0.987513D+01  0.214361D+01 -0.312783D+01 -0.332697D+01
      5   0.297302D+01 -0.332518D+00  0.221407D+01 -0.144800D+01  0.476024D+00
      6   0.270016D+00  0.125772D+02  0.623478D+01 -0.146479D+01  0.270697D+01
               306           307           308           309           310 
      1  -0.463931D+01 -0.103427D+01  0.344396D+00  0.349538D+01 -0.243789D+01
      2   0.290177D+01 -0.206664D+01  0.573290D-01 -0.340837D+00  0.226806D+01
      3   0.173754D+01  0.310091D+01 -0.401725D+00 -0.315454D+01  0.169824D+00
      4  -0.460203D+00 -0.664559D+00 -0.143309D+01  0.367619D+00 -0.168887D+01
      5  -0.597865D+00  0.142314D+01 -0.833902D+00  0.294141D+01 -0.147520D+01
      6   0.167386D+01 -0.359622D+00 -0.191689D+01 -0.212226D+01 -0.150400D+01
               311           312           313           314           315 
      1  -0.455257D+01 -0.110836D+01  0.365719D+01 -0.435936D+01 -0.203507D+02
      2   0.195374D+01  0.420101D+01 -0.359927D+01 -0.120206D+00 -0.140086D+02
      3   0.259882D+01 -0.309265D+01 -0.579163D-01  0.447957D+01  0.343593D+02
      4  -0.163117D+01  0.590021D+00  0.328595D+01  0.301995D+01  0.665275D+00
      5  -0.495646D-01 -0.204344D+01  0.474152D+01  0.352801D+01  0.162493D+02
      6   0.154168D+01  0.309208D+01  0.118625D+01  0.681939D+01  0.156532D+02
               316           317           318           319           320 
      1   0.600804D+01 -0.323685D+01  0.835808D+00 -0.913018D+01  0.627727D+00
      2   0.239973D-01 -0.621179D+00 -0.635091D+00  0.341287D+01  0.620092D+01
      3  -0.603204D+01  0.385803D+01 -0.200717D+00  0.571732D+01 -0.682864D+01
      4  -0.896926D+01  0.103067D+02  0.201663D+01  0.105977D+02 -0.213146D+02
      5  -0.107102D+01  0.219850D+01  0.184009D+01  0.735497D+01 -0.374768D+01
      6   0.206934D+01 -0.312076D+01 -0.158541D+01 -0.461488D+01  0.898751D+01
               321           322           323           324           325 
      1   0.153446D+01  0.624082D+01 -0.140009D+01 -0.228797D+01 -0.435555D+01
      2  -0.254280D+01 -0.341663D+01 -0.874340D+00  0.554710D+00  0.154785D+01
      3   0.100834D+01 -0.282420D+01  0.227443D+01  0.173326D+01  0.280770D+01
      4  -0.333687D+01  0.575990D+00  0.190584D+01 -0.352235D+01 -0.123860D+01
      5  -0.557519D+01 -0.394255D+00 -0.284102D+01 -0.531378D+00  0.977719D+00
      6   0.330961D+01 -0.906645D+00  0.162209D+01  0.168415D+01 -0.886202D+00
               326           327           328           329           330 
      1   0.663921D+00 -0.279192D+01  0.184448D+01 -0.142190D+01 -0.358330D+00
      2  -0.122510D+01 -0.158819D+01 -0.182870D+01 -0.148547D+01  0.874718D+00
      3   0.561183D+00  0.438011D+01 -0.157785D-01  0.290737D+01 -0.516388D+00
      4   0.631048D+00  0.265028D+00  0.298981D+01 -0.832102D+00 -0.323390D+01
      5  -0.379767D+00  0.987723D+00 -0.635334D+00 -0.281766D+01  0.406022D+00
      6  -0.644776D+00  0.500422D+00 -0.136687D+01  0.100061D+01  0.505398D+01
               331           332           333 
      1  -0.336379D+01 -0.243372D+01 -0.173521D+02
      2   0.605619D+01 -0.117122D+01 -0.170053D+02
      3  -0.269241D+01  0.360493D+01  0.343574D+02
      4  -0.381238D+00 -0.387278D+01 -0.324180D+01
      5   0.780079D+01 -0.279692D+01 -0.224385D+02
      6  -0.444477D+00  0.377825D+01  0.255720D+01
 Leave Link  716 at Sat Jul 24 18:00:38 2021, MaxMem= 16106127360 cpu:               1.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.150308D+03 -0.151124D-02 -0.437308D-02
      2  -0.151124D-02  0.150288D+03 -0.316452D-02
      3  -0.437308D-02 -0.316452D-02  0.124632D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.170117D+01  0.213514D-01 -0.320314D-01
      2  -0.224262D-01 -0.168882D+01  0.145380D-01
      3   0.739158D-01 -0.350705D-01 -0.248709D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.559252D+02  0.836039D+02 -0.901419D-02
      2  -0.559389D+02 -0.835903D+02 -0.484875D-02
      3   0.136843D-01 -0.135275D-01  0.138629D-01
      4   0.836473D+02 -0.559759D+02  0.493754D-04
      5  -0.146099D-01  0.516945D+01 -0.412888D-02
      6  -0.516685D+01 -0.263740D-01 -0.105601D-03
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=   111 ND12= 1 LenFil=    3999:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.270863D+01 -0.936292D+00 -0.251088D+01 -0.109522D+01 -0.282490D+01
      2  -0.936292D+00 -0.462526D+01  0.108275D+01 -0.282490D+01  0.623689D+01
      3  -0.251088D+01  0.108275D+01  0.810449D+00  0.357076D+00 -0.346098D+01
                 6             7             8             9            10 
      1   0.357076D+00 -0.188619D+01  0.591067D+00  0.876486D+00 -0.136483D+01
      2  -0.346098D+01  0.591067D+00 -0.278817D+01  0.860157D+00  0.354261D+01
      3   0.666934D+00  0.876486D+00  0.860157D+00  0.594957D+00  0.315856D+01
                11            12            13            14            15 
      1   0.354261D+01  0.315856D+01  0.269872D+01  0.349720D+01  0.479480D+00
      2   0.510296D+01  0.120586D+01  0.349720D+01  0.128778D+01  0.282356D+01
      3   0.120586D+01 -0.496399D+00  0.479480D+00  0.282356D+01  0.901325D+00
                16            17            18            19            20 
      1   0.245872D+01  0.771717D+00 -0.465924D+00  0.528901D+00 -0.209287D+01
      2   0.771717D+00  0.224570D+01  0.115613D+01 -0.209287D+01 -0.254580D+01
      3  -0.465924D+00  0.115613D+01 -0.564609D+00 -0.184654D+01 -0.774424D+00
                21            22            23            24            25 
      1  -0.184654D+01 -0.350320D+01 -0.505200D+01 -0.197996D+01 -0.229768D+01
      2  -0.774424D+00 -0.505200D+01 -0.570109D+01 -0.433700D+01 -0.124972D+01
      3  -0.111302D+01 -0.197996D+01 -0.433700D+01 -0.193450D+01 -0.145407D+01
                26            27            28            29            30 
      1  -0.124972D+01 -0.145407D+01 -0.954190D+00 -0.149718D+01  0.134074D-01
      2  -0.263205D+01 -0.165541D+01 -0.149718D+01  0.104345D+01 -0.184517D+01
      3  -0.165541D+01  0.137216D+01  0.134074D-01 -0.184517D+01  0.264815D-01
                31            32            33            34            35 
      1  -0.149089D+01  0.998919D+00  0.183541D+01  0.530697D-01 -0.229882D-01
      2   0.998919D+00  0.146461D+01  0.393069D-02 -0.229882D-01  0.619901D-01
      3   0.183541D+01  0.393069D-02 -0.701888D-02 -0.170154D-02 -0.301564D-01
                36            37            38            39            40 
      1  -0.170154D-02 -0.155869D+01  0.740309D+00  0.120993D+01  0.382837D+00
      2  -0.301564D-01  0.740309D+00 -0.216578D+00  0.558914D+00  0.272313D+01
      3   0.310402D-01  0.120993D+01  0.558914D+00  0.249317D+00 -0.690387D+00
                41            42            43            44            45 
      1   0.272313D+01 -0.690387D+00  0.145667D+01 -0.739159D+00  0.699121D+00
      2  -0.959228D+01  0.491957D+01 -0.739159D+00  0.342995D+01 -0.204841D+01
      3   0.491957D+01 -0.219362D+01  0.699121D+00 -0.204841D+01 -0.140006D+01
                46            47            48            49            50 
      1   0.406564D+01  0.480420D+01  0.395031D+01  0.252918D+01  0.304977D+01
      2   0.480420D+01  0.480530D+01  0.225730D+01  0.304977D+01  0.646646D+00
      3   0.395031D+01  0.225730D+01  0.176626D+01  0.103606D+01  0.221459D+01
                51            52            53            54            55 
      1   0.103606D+01  0.228708D+01  0.125889D+01  0.145551D+01  0.185854D+00
      2   0.221459D+01  0.125889D+01  0.262205D+01  0.166485D+01 -0.260813D+01
      3   0.133827D+01  0.145551D+01  0.166485D+01 -0.137374D+01 -0.261796D+01
                56            57            58            59            60 
      1  -0.260813D+01 -0.261796D+01 -0.417445D+01 -0.464453D+01 -0.113509D+01
      2  -0.358981D+01 -0.399831D+00 -0.464453D+01 -0.138097D+00 -0.336312D+01
      3  -0.399831D+00 -0.938557D+00 -0.113509D+01 -0.336312D+01  0.376119D+00
                61            62            63            64            65 
      1  -0.206542D+01 -0.709560D+00 -0.119122D+01 -0.734935D+01  0.151878D+01
      2  -0.709560D+00 -0.264942D+01  0.325685D+00  0.151878D+01  0.197376D+01
      3  -0.119122D+01  0.325685D+00  0.566960D+00  0.363093D+01 -0.211395D+00
                66            67            68            69            70 
      1   0.363093D+01  0.333910D+01  0.207620D+01 -0.938732D+00  0.297215D+01
      2  -0.211395D+00  0.207620D+01 -0.209888D+01  0.232886D+01 -0.446679D+00
      3  -0.567748D+00 -0.938732D+00  0.232886D+01 -0.885151D+00 -0.748545D+00
                71            72            73            74            75 
      1  -0.446679D+00 -0.748545D+00  0.100720D+02 -0.121770D+01 -0.491684D+01
      2   0.175687D+01 -0.979611D+00 -0.121770D+01 -0.106404D+01  0.201204D+00
      3  -0.979611D+00 -0.586547D+00 -0.491684D+01  0.201204D+00  0.223872D+01
                76            77            78            79            80 
      1   0.162631D+01 -0.106272D+01 -0.989915D+00 -0.366070D+01  0.451743D+00
      2  -0.106272D+01  0.119348D+01 -0.126047D+01  0.451743D+00 -0.132544D+01
      3  -0.989915D+00 -0.126047D+01  0.452579D-02  0.214868D+01 -0.437205D+00
                81            82            83            84            85 
      1   0.214868D+01 -0.667008D+00  0.183014D+01 -0.252950D+01  0.389880D+00
      2  -0.437205D+00  0.183014D+01 -0.630969D+01  0.237801D+01 -0.380989D+01
      3   0.137149D+01 -0.252950D+01  0.237801D+01 -0.111885D+01  0.116777D+01
                86            87            88            89            90 
      1  -0.380989D+01  0.116777D+01 -0.147580D+01  0.760313D+00 -0.701962D+00
      2   0.599904D+01 -0.364613D+01  0.760313D+00 -0.346225D+01  0.207279D+01
      3  -0.364613D+01  0.191992D+01 -0.701962D+00  0.207279D+01  0.138060D+01
                91            92            93            94            95 
      1  -0.147286D+01  0.131317D+01  0.216777D+01  0.313333D+00  0.456104D+01
      2   0.131317D+01  0.298447D+01  0.103593D+00  0.456104D+01 -0.560546D+01
      3   0.216777D+01  0.103593D+00  0.103873D+01 -0.645170D+00  0.382230D+01
                96            97            98            99           100 
      1  -0.645170D+00  0.160429D+01 -0.283483D+00  0.122211D+01  0.696117D+01
      2   0.382230D+01 -0.283483D+00  0.303363D+01 -0.162191D+00 -0.337317D+01
      3  -0.327356D-01  0.122211D+01 -0.162191D+00 -0.632527D+00 -0.383204D+01
               101           102           103           104           105 
      1  -0.337317D+01 -0.383204D+01 -0.173000D+01 -0.228151D+01 -0.311141D+00
      2  -0.147541D+01  0.406838D+00 -0.228151D+01  0.783643D+00 -0.212608D+01
      3   0.406838D+00  0.159957D+00 -0.311141D+00 -0.212608D+01 -0.102753D+01
               106           107           108           109           110 
      1  -0.308190D+01  0.895317D-01  0.305715D+00 -0.769089D+01  0.306394D+01
      2   0.895317D-01 -0.156942D+01 -0.119080D+01  0.306394D+01  0.453811D+00
      3   0.305715D+00 -0.119080D+01  0.637506D+00  0.408919D+01 -0.965680D+00
               111           112           113           114           115 
      1   0.408919D+01  0.569211D+01 -0.619784D+00 -0.217072D+01  0.357827D+01
      2  -0.965680D+00 -0.619784D+00  0.369911D+00  0.207490D+01 -0.465256D+00
      3  -0.205216D+01 -0.217072D+01  0.207490D+01  0.864631D+00 -0.213334D+01
               116           117           118           119           120 
      1  -0.465256D+00 -0.213334D+01  0.109835D+02  0.116588D+00 -0.294451D+01
      2   0.127957D+01  0.428398D+00  0.116588D+00  0.100027D+01  0.170389D-01
      3   0.428398D+00 -0.140771D+01 -0.294451D+01  0.170389D-01  0.203634D+01
               121           122           123           124           125 
      1  -0.214559D+01  0.113719D+01  0.819231D+00 -0.297867D+01 -0.481561D-02
      2   0.113719D+01  0.107125D+00 -0.739256D+00 -0.481561D-02 -0.486322D+00
      3   0.819231D+00 -0.739256D+00 -0.264549D+00  0.245544D+01  0.166718D+00
               126           127           128           129           130 
      1   0.245544D+01  0.125564D+00  0.634638D+00 -0.884373D+00  0.112650D+01
      2   0.166718D+00  0.634638D+00 -0.648681D+00  0.213513D+00  0.473976D+00
      3  -0.146647D+01 -0.884373D+00  0.213513D+00 -0.347923D+00 -0.188844D+00
               131           132           133           134           135 
      1   0.473976D+00 -0.188844D+00 -0.134174D+01 -0.366203D+00  0.393094D+00
      2   0.460480D+01 -0.213573D+01 -0.366203D+00 -0.177514D+01  0.168301D+01
      3  -0.213573D+01  0.226431D+01  0.393094D+00  0.168301D+01 -0.215482D+01
               136           137           138           139           140 
      1   0.567617D+01  0.294335D+01  0.171617D+01  0.471147D+01  0.402016D+01
      2   0.294335D+01  0.250714D+01  0.760554D+00  0.402016D+01  0.424672D+01
      3   0.171617D+01  0.760554D+00  0.144144D+01  0.157621D+01  0.196416D+01
               141           142           143           144           145 
      1   0.157621D+01  0.208440D+01  0.121687D+01  0.205569D+01  0.207654D+01
      2   0.196416D+01  0.121687D+01  0.142104D+01  0.136824D+01 -0.923685D+00
      3   0.144503D+01  0.205569D+01  0.136824D+01  0.149433D+01  0.134712D+01
               146           147           148           149           150 
      1  -0.923685D+00  0.134712D+01 -0.200298D+01  0.156586D+01 -0.794416D+00
      2   0.966377D+00 -0.392994D+00  0.156586D+01 -0.285603D+01  0.168626D+01
      3  -0.392994D+00  0.109938D+01 -0.794416D+00  0.168626D+01 -0.200582D+01
               151           152           153           154           155 
      1   0.188541D+01 -0.305607D+00  0.133643D+01 -0.219646D+01  0.181414D+01
      2  -0.305607D+00  0.126485D+01 -0.110022D+01  0.181414D+01 -0.192518D+01
      3   0.133643D+01 -0.110022D+01  0.216101D+01 -0.924708D+00  0.326357D+00
               156           157           158           159           160 
      1  -0.924708D+00  0.287080D+01 -0.401514D+01  0.115279D+01 -0.111670D+01
      2   0.326357D+00 -0.401514D+01  0.856176D+01 -0.276305D+01  0.108103D+01
      3  -0.776054D+00  0.115279D+01 -0.276305D+01  0.189917D+01 -0.137000D+01
               161           162           163           164           165 
      1   0.108103D+01 -0.137000D+01 -0.363147D+01 -0.777768D+00 -0.180707D+01
      2  -0.235179D+01  0.204327D+01 -0.777768D+00 -0.106251D+01 -0.351528D+00
      3   0.204327D+01 -0.146622D+01 -0.180707D+01 -0.351528D+00 -0.180844D+01
               166           167           168           169           170 
      1  -0.201484D+01 -0.120592D+01 -0.753724D+00 -0.196293D+01 -0.115855D-02
      2  -0.120592D+01 -0.132429D+01 -0.121601D+01 -0.115855D-02 -0.112516D+01
      3  -0.753724D+00 -0.121601D+01 -0.145135D+01 -0.165402D+01 -0.496283D+00
               171           172           173           174           175 
      1  -0.165402D+01 -0.973204D+01  0.334102D+01  0.291801D+01  0.119291D+01
      2  -0.496283D+00  0.334102D+01 -0.213381D+01 -0.886090D+00 -0.138758D+01
      3  -0.211929D+01  0.291801D+01 -0.886090D+00 -0.198392D+01 -0.754632D-01
               176           177           178           179           180 
      1  -0.138758D+01 -0.754632D-01  0.260501D+01 -0.876855D+00 -0.220293D+01
      2   0.151739D+01  0.763363D+00 -0.876855D+00  0.850312D+00  0.109405D+01
      3   0.763363D+00  0.531357D+00 -0.220293D+01  0.109405D+01  0.146030D+01
               181           182           183           184           185 
      1   0.878274D+00  0.101969D+01  0.107378D+01  0.105107D+01  0.543972D+00
      2   0.101969D+01  0.177974D+01  0.657633D+00  0.543972D+00  0.407780D+01
      3   0.107378D+01  0.657633D+00  0.120298D+01  0.253046D+00  0.194400D+01
               186           187           188           189           190 
      1   0.253046D+00  0.114614D+01 -0.115467D+00  0.279102D+00 -0.294540D+01
      2   0.194400D+01 -0.115467D+00  0.196843D+01  0.170206D+01 -0.347172D+01
      3   0.197074D+01  0.279102D+00  0.170206D+01  0.212732D+01 -0.165802D+01
               191           192           193           194           195 
      1  -0.347172D+01 -0.165802D+01 -0.221171D+01 -0.291526D+01 -0.753266D+00
      2  -0.483867D+01 -0.156955D+01 -0.291526D+01 -0.710491D+01 -0.202861D+01
      3  -0.156955D+01 -0.124392D+01 -0.753266D+00 -0.202861D+01 -0.161681D+01
               196           197           198           199           200 
      1  -0.112470D+01 -0.109773D+01 -0.109498D+01  0.338043D+01 -0.152185D+01
      2  -0.109773D+01 -0.240137D+01 -0.221904D+01 -0.152185D+01  0.184372D+01
      3  -0.109498D+01 -0.221904D+01 -0.150126D+01 -0.183351D+01  0.736498D+00
               201           202           203           204           205 
      1  -0.183351D+01 -0.780209D+00  0.858550D+00  0.332311D+00 -0.134357D+01
      2   0.736498D+00  0.858550D+00 -0.161689D+01 -0.117881D+01  0.371287D+00
      3   0.213469D+01  0.332311D+00 -0.117881D+01 -0.835472D+00  0.125735D+01
               206           207           208           209           210 
      1   0.371287D+00  0.125735D+01  0.374219D+00 -0.153121D+01  0.891555D+00
      2  -0.175575D+01 -0.118797D+01 -0.153121D+01  0.324259D+01 -0.109754D+01
      3  -0.118797D+01 -0.215229D+01  0.891555D+00 -0.109754D+01  0.530956D+00
               211           212           213           214           215 
      1  -0.109850D+01  0.985071D+00 -0.285813D+00  0.527921D+00 -0.314634D+00
      2   0.985071D+00 -0.105258D+02  0.279695D+01 -0.314634D+00  0.292933D+01
      3  -0.285813D+00  0.279695D+01 -0.198407D+01  0.155361D+00 -0.245374D+01
               216           217           218           219           220 
      1   0.155361D+00 -0.448804D+01 -0.834158D+00  0.211763D+01  0.222205D+00
      2  -0.245374D+01 -0.834158D+00 -0.125490D+01  0.347497D+00 -0.623176D+00
      3   0.146339D+01  0.211763D+01  0.347497D+00 -0.229195D+01 -0.560381D-01
               221           222           223           224           225 
      1  -0.623176D+00 -0.560381D-01  0.167368D+01  0.411114D+00 -0.161689D+01
      2  -0.447571D+00  0.901121D+00  0.411114D+00  0.144526D+01 -0.610278D+00
      3   0.901121D+00  0.510999D-01 -0.161689D+01 -0.610278D+00  0.215243D+01
               226           227           228           229           230 
      1   0.498676D+01 -0.165573D+01  0.757639D+00 -0.181405D+01  0.956634D+00
      2  -0.165573D+01  0.308993D+01 -0.115906D+01  0.956634D+00 -0.361396D+00
      3   0.757639D+00 -0.115906D+01  0.126481D+01 -0.160809D+00 -0.606371D+00
               231           232           233           234           235 
      1  -0.160809D+00  0.561954D-01  0.944951D-01  0.568258D+00  0.613126D+00
      2  -0.606371D+00  0.944951D-01 -0.188935D+01  0.476295D+00 -0.369953D+00
      3  -0.642089D-01  0.568258D+00  0.476295D+00  0.199282D+00  0.683757D+00
               236           237           238           239           240 
      1  -0.369953D+00  0.683757D+00 -0.451929D+00 -0.458982D+00  0.227871D+00
      2  -0.955692D+00  0.304913D+00 -0.458982D+00  0.141485D+01 -0.174126D+00
      3   0.304913D+00 -0.170011D+00  0.227871D+00 -0.174126D+00  0.639219D+00
               241           242           243           244           245 
      1   0.927693D+00 -0.698356D-01  0.923144D+00 -0.630177D+01 -0.521180D+00
      2  -0.698356D-01  0.188254D+01 -0.109550D+01 -0.521180D+00 -0.199012D+01
      3   0.923144D+00 -0.109550D+01  0.692752D+01 -0.102022D+01 -0.484881D+00
               246           247           248           249           250 
      1  -0.102022D+01  0.135784D+00  0.413712D-01  0.513705D+00  0.287640D+00
      2  -0.484881D+00  0.413712D-01  0.921419D+00  0.868798D+00  0.751163D+00
      3  -0.119280D+01  0.513705D+00  0.868798D+00  0.423807D+00 -0.345468D+00
               251           252           253           254           255 
      1   0.751163D+00 -0.345468D+00 -0.537109D+00  0.649444D+00 -0.365991D+00
      2   0.152896D+01  0.654033D+00  0.649444D+00  0.121858D+01  0.530165D+00
      3   0.654033D+00 -0.197644D+00 -0.365991D+00  0.530165D+00  0.402280D+00
               256           257           258           259           260 
      1   0.383566D+00  0.800009D+00  0.454558D+00 -0.111810D+01 -0.386035D+00
      2   0.800009D+00  0.374233D+00 -0.138440D+00 -0.386035D+00 -0.169204D+01
      3   0.454558D+00 -0.138440D+00  0.524770D+00 -0.127352D+01 -0.656240D+00
               261           262           263           264           265 
      1  -0.127352D+01 -0.385729D+01 -0.177694D+01  0.314526D+00 -0.353697D+01
      2  -0.656240D+00 -0.177694D+01 -0.207236D+01  0.418198D+00 -0.881360D+00
      3  -0.692632D+01  0.314526D+00  0.418198D+00 -0.689864D+00  0.141538D+01
               266           267           268           269           270 
      1  -0.881360D+00  0.141538D+01 -0.147682D+01  0.792704D+00  0.123640D+00
      2  -0.235457D+01 -0.148222D+00  0.792704D+00 -0.346441D+00 -0.729077D+00
      3  -0.148222D+00 -0.106119D+01  0.123640D+00 -0.729077D+00  0.205444D+00
               271           272           273           274           275 
      1   0.128762D+01 -0.928237D+00 -0.192984D+00 -0.461023D+00 -0.463923D+00
      2  -0.928237D+00 -0.288072D+00  0.276730D+00 -0.463923D+00  0.281678D+00
      3  -0.192984D+00  0.276730D+00  0.640380D+00  0.197445D+00  0.702349D+00
               276           277           278           279           280 
      1   0.197445D+00  0.170470D+01 -0.377826D+00 -0.140875D+01  0.190799D+01
      2   0.702349D+00 -0.377826D+00  0.110511D+01 -0.249031D+00  0.492688D+00
      3  -0.166774D+00 -0.140875D+01 -0.249031D+00  0.692897D+01  0.384500D+00
               281           282           283           284           285 
      1   0.492688D+00  0.384500D+00  0.191224D+01  0.157089D+01 -0.326818D+00
      2   0.317304D+01 -0.132130D+01  0.157089D+01  0.472389D+01 -0.531520D+00
      3  -0.132130D+01  0.960268D+00 -0.326818D+00 -0.531520D+00  0.818404D+00
               286           287           288           289           290 
      1   0.576977D+00 -0.905066D+00  0.738016D+00 -0.383549D+00  0.205095D+00
      2  -0.905066D+00  0.126562D+01 -0.289537D-01  0.205095D+00  0.699354D+00
      3   0.738016D+00 -0.289537D-01 -0.198668D+00 -0.624747D+00 -0.307477D+00
               291           292           293           294           295 
      1  -0.624747D+00 -0.270918D-01  0.113492D+01 -0.383636D+00 -0.121497D+01
      2  -0.307477D+00  0.113492D+01 -0.933595D+00  0.113485D+00  0.442018D+00
      3   0.256099D+00 -0.383636D+00  0.113485D+00 -0.605251D+00  0.716177D-01
               296           297           298           299           300 
      1   0.442018D+00  0.716177D-01 -0.115620D+01 -0.131719D+00 -0.826617D+00
      2  -0.159909D+01  0.143637D+01 -0.131719D+00 -0.989219D+00 -0.758475D+00
      3   0.143637D+01 -0.692777D+01 -0.826617D+00 -0.758475D+00 -0.573890D+00
               301           302           303           304           305 
      1   0.179588D+01 -0.703182D-01  0.239027D+00 -0.131344D+01 -0.892027D+00
      2  -0.703182D-01  0.628771D+01  0.991334D+00 -0.892027D+00 -0.499314D+00
      3   0.239027D+00  0.991334D+00  0.112747D+01 -0.695750D+00  0.252111D+00
               306           307           308           309           310 
      1  -0.695750D+00 -0.311161D-01 -0.651351D+00  0.269559D+00 -0.103562D+01
      2   0.252111D+00 -0.651351D+00 -0.628853D+00 -0.464948D+00 -0.946568D+00
      3   0.201885D+00  0.269559D+00 -0.464948D+00 -0.466757D+00 -0.542974D+00
               311           312           313           314           315 
      1  -0.946568D+00 -0.542974D+00  0.158236D+01  0.447556D+00  0.485831D+00
      2   0.257067D+00  0.235566D+00  0.447556D+00  0.122697D+01  0.134162D+01
      3   0.235566D+00 -0.473661D+00  0.485831D+00  0.134162D+01  0.692731D+01
               316           317           318           319           320 
      1   0.110107D+01 -0.133966D+01  0.411033D+00 -0.342932D+01  0.168466D+01
      2  -0.133966D+01  0.212910D+01  0.314618D+00  0.168466D+01 -0.427918D+01
      3   0.411033D+00  0.314618D+00  0.230188D+00  0.131076D+01 -0.562999D+00
               321           322           323           324           325 
      1   0.131076D+01  0.187487D+01  0.154886D+00 -0.397019D+00 -0.159520D+01
      2  -0.562999D+00  0.154886D+00 -0.423399D-01 -0.623638D+00  0.130693D+00
      3  -0.124333D+01 -0.397019D+00 -0.623638D+00 -0.199025D+00  0.231127D+00
               326           327           328           329           330 
      1   0.130693D+00  0.231127D+00  0.629683D+00  0.584022D+00 -0.185210D+00
      2   0.601077D+00 -0.107844D+00  0.584022D+00 -0.418429D+00 -0.738151D+00
      3  -0.107844D+00 -0.657454D+00 -0.185210D+00 -0.738151D+00  0.859482D-01
               331           332           333 
      1  -0.188392D+01 -0.562737D-01  0.120551D+01
      2  -0.562737D-01 -0.927328D+00 -0.772018D+00
      3   0.120551D+01 -0.772018D+00 -0.692893D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.103869D+02 -0.609340D+01  0.519102D+01 -0.524253D+01 -0.146620D+01
      2   0.401212D+00  0.255598D+01  0.312342D+01  0.158788D+01  0.220680D+01
      3  -0.856929D+01  0.217853D+01  0.855333D+01  0.581524D+01  0.833225D+01
                 6             7             8             9            10 
      1  -0.820669D+01  0.167912D+00 -0.248626D+01  0.115679D+01  0.434178D+01
      2   0.812568D+00  0.253633D+00 -0.125431D+00 -0.842708D+00 -0.270865D+01
      3   0.125551D+01  0.926117D+01  0.210702D+01 -0.349109D+01  0.898187D+01
                11            12            13            14            15 
      1  -0.757887D+01 -0.640883D+01 -0.639202D+01  0.755568D+01 -0.609190D+01
      2   0.168862D+01  0.541975D+01  0.226248D+01  0.513638D+00  0.380706D+00
      3  -0.486902D+01 -0.739176D+01 -0.126832D+01 -0.865607D+01  0.450835D+01
                16            17            18            19            20 
      1  -0.929993D+00 -0.194867D+01 -0.129677D+01 -0.210146D+00 -0.120821D+01
      2   0.677430D+00  0.866789D+00 -0.400418D+00  0.192468D+02  0.140526D+02
      3  -0.775792D+01  0.541430D+01  0.346641D+01 -0.205068D+02 -0.178903D+02
                21            22            23            24            25 
      1   0.275766D+01 -0.327944D+01 -0.170450D+02  0.254394D+00  0.113107D+02
      2   0.902402D+01  0.425482D+01 -0.117578D+01 -0.384505D+01 -0.107644D+02
      3  -0.868154D+01  0.302744D+01  0.165513D+02  0.415202D+01 -0.223209D+01
                26            27            28            29            30 
      1   0.191276D+02  0.176536D+02  0.211719D+01  0.294158D+01  0.130197D+00
      2  -0.132528D+02 -0.168853D+02  0.264273D+01 -0.206682D+01 -0.668317D+01
      3   0.321648D+01  0.317054D+00  0.228319D-01  0.890595D+01 -0.899515D-01
                31            32            33            34            35 
      1   0.301540D+01 -0.185358D+01  0.686151D+01  0.256022D+00 -0.771538D+01
      2  -0.223464D+01 -0.319850D+01  0.957095D-01  0.800694D+01  0.584788D-01
      3  -0.902339D+01 -0.198312D+00  0.140307D+00  0.250303D+00  0.398531D+00
                36            37            38            39            40 
      1  -0.936241D-01  0.468367D+01 -0.213013D+01  0.145447D+01 -0.274326D+00
      2  -0.480222D+00  0.865897D+01 -0.194009D+02  0.101029D+02 -0.942772D+01
      3  -0.141277D+00  0.989353D+01 -0.290477D+02  0.980008D+01 -0.801658D+01
                41            42            43            44            45 
      1   0.181941D+02  0.119444D+01 -0.476564D+01  0.266810D+02 -0.228102D+02
      2   0.167851D+01 -0.520596D+00 -0.329709D+01  0.651045D+01 -0.872599D+01
      3  -0.555640D+01  0.380492D+00  0.330980D+01  0.184686D+01 -0.201225D+00
                46            47            48            49            50 
      1   0.838412D+00 -0.213592D+01  0.481382D+01 -0.115339D+02 -0.213404D+02
      2   0.167019D+02  0.531267D+01  0.827034D+00  0.200624D+01 -0.162320D+01
      3  -0.178909D+02 -0.804464D+01 -0.524838D+01  0.127664D+02  0.217548D+02
                51            52            53            54            55 
      1  -0.808799D+01  0.138053D+02  0.139664D+02  0.189243D+02  0.122638D+01
      2  -0.373238D+01 -0.156054D+02 -0.118559D+02 -0.152313D+02 -0.937157D+01
      3   0.804124D+01 -0.361196D+01  0.180507D+01 -0.363477D+00  0.770455D+01
                56            57            58            59            60 
      1  -0.336418D+01 -0.372755D+00 -0.296315D+01  0.242357D+01 -0.633375D+01
      2   0.536196D+01  0.529115D+01  0.672062D+01 -0.224949D+01  0.640647D+01
      3   0.345552D+01 -0.541819D+01  0.696648D+01 -0.782354D+01  0.671068D+01
                61            62            63            64            65 
      1  -0.103494D+01 -0.963585D+00  0.225812D+00 -0.156328D+01 -0.221416D+01
      2   0.175685D+01  0.112048D+01  0.134851D+01 -0.163111D+00  0.360349D+01
      3  -0.635708D+01  0.700322D+01 -0.351798D+01 -0.693362D+01 -0.783438D+01
                66            67            68            69            70 
      1  -0.155749D+01 -0.334553D+01 -0.245622D+01 -0.263675D+01 -0.221466D+00
      2   0.869982D+01  0.434774D+01  0.114468D+02 -0.444626D+01  0.254089D+01
      3  -0.156496D+00 -0.431301D+01  0.728340D+01 -0.858847D+01 -0.904978D+00
                71            72            73            74            75 
      1  -0.265523D+00  0.981566D+00 -0.252659D+01  0.997682D+01  0.164932D+01
      2   0.126714D+00 -0.103214D+01 -0.187387D+02 -0.187221D+00 -0.839745D+00
      3  -0.947297D+01  0.352199D+01  0.130578D+01  0.941088D+01  0.529519D+00
                76            77            78            79            80 
      1   0.194260D+02 -0.410473D+01 -0.953148D+01 -0.358807D+01  0.224640D+01
      2   0.271620D+01 -0.524615D+01 -0.287035D+01 -0.278376D+02  0.146352D+01
      3   0.301590D+02 -0.476994D+01 -0.955991D+01 -0.175382D+01 -0.352621D+01
                81            82            83            84            85 
      1   0.591270D+01  0.206417D+01  0.316716D+01 -0.615482D+01 -0.424216D+01
      2   0.237706D+02  0.113968D+02 -0.127018D+02  0.488021D+01 -0.596356D+01
      3   0.444284D+00  0.136700D+02 -0.226120D+02  0.785608D+01 -0.169051D+01
                86            87            88            89            90 
      1   0.221754D+02 -0.393359D+01 -0.106778D+02  0.235202D+02 -0.233354D+02
      2  -0.566572D+01  0.514377D+01 -0.646931D+01  0.885455D+01 -0.683691D+01
      3  -0.177805D+02  0.555651D+01  0.373686D+01  0.401310D+00  0.240667D+00
                91            92            93            94            95 
      1  -0.812069D+01 -0.311190D+01 -0.107366D+01 -0.320472D+01  0.305147D+00
      2  -0.101011D+02 -0.243313D-01  0.290592D+01 -0.132979D+01  0.913212D+00
      3  -0.175658D+01  0.737008D+01  0.760343D+01  0.109528D+02  0.194988D+01
                96            97            98            99           100 
      1  -0.848830D+01  0.986186D+00 -0.174861D+01  0.510224D+00 -0.787457D+00
      2  -0.500397D+01  0.784240D+00 -0.103538D+01  0.157841D+01 -0.113337D+01
      3   0.415665D+01  0.848212D+01  0.395745D+01  0.350102D+01  0.618930D+00
               101           102           103           104           105 
      1  -0.320553D+00  0.419294D+01 -0.169198D+01  0.875705D+01 -0.252084D+01
      2   0.199776D+01  0.887008D+01  0.175820D+01  0.998118D+01  0.185024D+01
      3  -0.110969D+02 -0.311742D+01 -0.764796D+01 -0.928495D+00 -0.802941D+01
               106           107           108           109           110 
      1   0.937939D+00 -0.599381D+00 -0.149578D+01  0.541118D+01  0.783682D+01
      2   0.203190D+01 -0.816342D+00 -0.717978D+00 -0.214886D+02  0.271905D+01
      3  -0.282250D+01 -0.896885D+01 -0.357755D+01  0.136479D+02  0.568096D+01
               111           112           113           114           115 
      1  -0.473361D+01  0.154588D+02 -0.839414D+01 -0.644789D+01 -0.618490D+01
      2   0.235364D+01 -0.371615D+01 -0.338389D+01  0.577700D+01 -0.258230D+02
      3  -0.424401D+01  0.265828D+02 -0.100773D+02 -0.866791D+01  0.281392D+00
               116           117           118           119           120 
      1   0.405310D+01  0.382460D+01  0.145038D+01 -0.158280D+01 -0.190752D+01
      2   0.809711D+01  0.243066D+02  0.216249D+01  0.853092D+00  0.573147D+01
      3  -0.411328D+01 -0.288073D+00  0.736742D+01 -0.539043D+01 -0.294717D+01
               121           122           123           124           125 
      1  -0.315708D+00  0.106548D+01 -0.284373D+00 -0.128608D+01  0.136238D+01
      2  -0.298847D+01 -0.171557D+01  0.327014D+00  0.259055D+01 -0.304034D+00
      3  -0.222608D+01  0.180149D+01  0.233019D+01 -0.839014D+00  0.285221D+01
               126           127           128           129           130 
      1   0.745381D+00  0.691130D+00  0.961019D+00  0.744329D+00 -0.177710D+00
      2  -0.248652D+01 -0.422161D+01  0.140460D+01 -0.221107D+01  0.917906D+00
      3   0.106317D+01 -0.308069D+01  0.318915D+01 -0.190987D+01  0.259962D+01
               131           132           133           134           135 
      1  -0.300611D+01 -0.188015D+01 -0.906966D-01  0.107813D+01  0.916415D+00
      2  -0.648445D+01  0.732060D+01 -0.199099D+01  0.529069D+01 -0.620654D+01
      3  -0.145391D+02  0.677603D+01 -0.631979D+00  0.558271D+01 -0.557046D+01
               136           137           138           139           140 
      1   0.114456D+00  0.969787D+00 -0.153907D+01  0.232910D+01  0.215891D+01
      2   0.586871D+00  0.451297D+00  0.475609D+01 -0.343561D+01  0.693450D+00
      3  -0.175524D+01 -0.519375D+01 -0.891025D+00 -0.199878D+01 -0.756889D+01
               141           142           143           144           145 
      1  -0.120217D+01 -0.962770D+00  0.392661D+00 -0.978714D+00 -0.262148D+01
      2   0.309272D+01  0.158631D+01  0.257970D+01  0.255501D+01  0.305753D+01
      3  -0.364600D+01  0.105477D+01 -0.281261D+01 -0.110699D+01  0.446752D+01
               146           147           148           149           150 
      1   0.122450D+01 -0.118954D+01  0.242594D+01 -0.570501D+01  0.280997D+01
      2   0.254127D+00  0.245457D+01  0.576744D+00  0.413833D+01 -0.686371D+01
      3  -0.449466D+01  0.257970D+01 -0.512358D+01  0.130629D+02 -0.654978D+01
               151           152           153           154           155 
      1  -0.145970D+01  0.402514D+01 -0.305622D+01  0.131893D+01 -0.521035D+00
      2   0.901406D+00 -0.375247D+01  0.551159D+01  0.125226D+01 -0.665812D+00
      3   0.290796D+01 -0.483983D+01  0.558365D+01  0.115375D+00 -0.205252D+01
               156           157           158           159           160 
      1   0.211142D+01  0.219036D+01 -0.293122D+01 -0.339804D+01  0.114502D+01
      2   0.258962D+01  0.237816D+01  0.806675D+00 -0.369943D+01  0.373662D-01
      3  -0.583462D+00  0.112547D+01  0.923697D+01 -0.370883D+01 -0.206498D+01
               161           162           163           164           165 
      1  -0.118039D+01  0.178169D+01  0.514245D+01  0.177055D+01  0.395392D+01
      2  -0.276031D+01  0.189872D+01  0.929454D+00 -0.391338D+00  0.381339D+01
      3  -0.215931D+01  0.108686D+01 -0.917765D+01 -0.612756D+01 -0.492658D+01
               166           167           168           169           170 
      1   0.275468D+01  0.530134D+01  0.407300D+01  0.353383D+01  0.406815D+01
      2  -0.117312D+01  0.240206D+01  0.421032D+01  0.107864D+01  0.162883D+01
      3  -0.676515D+01 -0.844095D+01 -0.505965D+01 -0.446079D+01 -0.330118D+01
               171           172           173           174           175 
      1   0.484595D+01 -0.998715D+00 -0.205585D+01  0.350249D+01  0.587014D+00
      2   0.375155D+01  0.296708D+01 -0.189878D+01  0.414878D+01  0.114520D+01
      3  -0.555595D+01 -0.924068D+01 -0.231357D+01  0.361090D+01  0.881754D+00
               176           177           178           179           180 
      1  -0.113250D+01 -0.187547D+01  0.255463D+01  0.425196D+00 -0.162555D+01
      2  -0.157818D+01 -0.192244D+01  0.166627D+01 -0.956470D+00 -0.198844D+01
      3   0.996382D-01  0.102339D+01  0.189547D+01  0.231172D+01 -0.106538D+01
               181           182           183           184           185 
      1  -0.190716D+01  0.125307D+01 -0.318823D+01  0.386166D+00  0.894520D-02
      2  -0.497621D+01 -0.258244D+01 -0.396330D+01 -0.171050D+01 -0.575718D+01
      3   0.674401D+01  0.644959D+01  0.435874D+01  0.587957D+01  0.108224D+02
               186           187           188           189           190 
      1  -0.366772D+01 -0.102827D+01 -0.697977D+00 -0.313896D+01 -0.845115D+00
      2  -0.494197D+01 -0.375141D+01 -0.415586D+01 -0.532205D+01 -0.180707D+01
      3   0.554232D+01  0.270935D+01  0.487417D+01  0.556837D+01  0.649217D+01
               191           192           193           194           195 
      1   0.364386D+01 -0.255744D+01 -0.355172D+00 -0.101691D+00 -0.527324D+01
      2  -0.207137D+01  0.667399D+00 -0.125057D+01 -0.593963D+00  0.994829D+00
      3   0.265798D+01  0.349565D+01  0.586568D+01  0.273488D+01  0.134709D+01
               196           197           198           199           200 
      1  -0.227665D+01 -0.198437D+01 -0.268517D+01 -0.478028D+01 -0.433407D+00
      2  -0.815491D+00  0.651240D+00  0.646917D+00  0.556716D+01 -0.203105D+01
      3   0.293967D+01 -0.697171D+00  0.111943D+01 -0.141769D+02  0.381426D+01
               201           202           203           204           205 
      1   0.744999D+01 -0.299854D+00 -0.329803D+01 -0.170982D+01  0.432252D+01
      2  -0.199120D+01 -0.778404D+00  0.181676D+01  0.607343D+00 -0.362396D+01
      3   0.682586D+01  0.316293D+01 -0.346382D+01 -0.172568D+01  0.511687D+01
               206           207           208           209           210 
      1  -0.617426D+00 -0.581168D+01  0.156265D+01  0.343474D+01  0.415781D+00
      2   0.859551D+00  0.230613D+01 -0.114765D+01  0.775999D+00  0.868091D-01
      3  -0.225143D+01 -0.555264D+01 -0.292420D+01  0.280392D+01 -0.272171D+01
               211           212           213           214           215 
      1  -0.582847D+00 -0.165148D+01 -0.592680D+01  0.846969D+00 -0.265394D+01
      2   0.152826D+01 -0.142120D+01  0.116538D+01 -0.142229D+01  0.766090D+00
      3   0.596240D+01 -0.629459D+01  0.260827D+01 -0.294505D+01  0.454792D+00
               216           217           218           219           220 
      1   0.255745D+01  0.629719D+01 -0.669631D+00 -0.775876D+01 -0.100036D+01
      2  -0.422478D+00  0.389049D+01  0.589288D+00  0.975779D+00 -0.602979D+00
      3  -0.108005D+01  0.150848D+02 -0.101101D+01 -0.697347D+01 -0.160852D+01
               221           222           223           224           225 
      1   0.401943D+01  0.127598D+01 -0.532036D+01  0.128481D+01  0.627428D+01
      2  -0.204978D+00 -0.312581D+00 -0.179297D+01  0.117545D+00 -0.109606D+00
      3   0.251872D+01  0.101542D+01 -0.562250D+01 -0.928294D-01  0.557354D+01
               226           227           228           229           230 
      1  -0.519690D+00  0.369308D+01  0.765162D+00  0.911213D+00  0.745864D+00
      2  -0.858021D+01  0.357453D+01 -0.338730D+00  0.105855D+01 -0.122810D-01
      3  -0.113631D+02  0.154063D+01 -0.199917D+01  0.180024D+01 -0.502993D+00
               231           232           233           234           235 
      1  -0.185273D+01  0.185573D+01 -0.220250D+01  0.607575D+00  0.174213D+01
      2  -0.707589D+00  0.147357D+01 -0.209974D+01 -0.201984D+00  0.161190D+00
      3  -0.468661D+00  0.185393D+01 -0.593141D+00 -0.406425D+00 -0.361515D+00
               236           237           238           239           240 
      1  -0.983028D-02 -0.513658D+00  0.130271D+01  0.101037D+00  0.314632D+01
      2   0.436720D+00 -0.119119D+01  0.154618D+00 -0.209829D+01  0.166549D+01
      3  -0.428741D+00 -0.169596D+01  0.365099D+00 -0.164783D+01 -0.369126D-01
               241           242           243           244           245 
      1   0.259641D+01  0.741872D+00  0.146736D+02 -0.161381D+01  0.244462D+01
      2  -0.150474D+01 -0.141942D+01  0.399377D+01 -0.902347D+01 -0.911538D+00
      3  -0.184327D+01 -0.176575D+01 -0.156640D+01  0.109254D+02 -0.276338D+01
               246           247           248           249           250 
      1  -0.129662D+01  0.822705D+00 -0.183368D+01 -0.986726D+00 -0.153241D+01
      2   0.462127D+00  0.252105D+01  0.118234D+01  0.125244D+01  0.296728D+01
      3   0.169286D+01 -0.252297D+01  0.877860D+00 -0.120572D+01 -0.193806D+01
               251           252           253           254           255 
      1  -0.668858D+00 -0.613496D+00 -0.108557D+01 -0.687281D-01  0.895564D+00
      2   0.176187D+01  0.242375D-01  0.314456D-01 -0.122584D+01 -0.224672D+01
      3   0.167511D+00  0.416939D+00  0.540708D+00  0.318729D-01  0.154265D+01
               256           257           258           259           260 
      1   0.123908D+01 -0.129793D+01  0.208670D+01 -0.227911D+01  0.229355D+01
      2  -0.144721D+01 -0.116645D+01 -0.205469D+01  0.501172D-01  0.109348D+01
      3   0.832421D+00  0.147621D+01 -0.682033D+00  0.101889D+01 -0.234326D+01
               261           262           263           264           265 
      1  -0.120153D+02 -0.284110D+01 -0.293314D+01  0.639859D+00 -0.376998D+01
      2   0.929325D+01  0.347248D+01  0.202116D+01  0.187446D+01  0.569659D+01
      3   0.157417D+01 -0.469489D+01 -0.561832D+01  0.636909D+00 -0.542253D+01
               266           267           268           269           270 
      1  -0.472939D+01  0.451000D+00 -0.804062D+00  0.787424D-01 -0.470555D+00
      2   0.660661D+00 -0.541718D+00  0.368804D+01  0.582623D+00 -0.396201D+00
      3  -0.718899D+01  0.197939D+01 -0.144252D+01 -0.131925D+01 -0.428259D+00
               271           272           273           274           275 
      1  -0.150486D+01  0.960016D+00  0.276476D+00  0.732038D-01 -0.107836D+01
      2   0.954365D+00 -0.280875D+00 -0.361901D+01 -0.124489D+01 -0.155443D+01
      3  -0.128546D+01  0.161211D+00  0.817636D+00  0.967607D+00 -0.714292D+00
               276           277           278           279           280 
      1   0.738108D+00 -0.100176D+00  0.305850D+01 -0.388706D+01 -0.221937D+00
      2   0.874044D+00  0.801527D+00  0.128086D+01 -0.146967D+02  0.382244D+01
      3   0.148560D+01 -0.612066D+00  0.247452D+01 -0.157107D+01  0.571664D+01
               281           282           283           284           285 
      1  -0.573514D+01  0.829139D+00 -0.188148D+01 -0.483950D+01 -0.168810D+01
      2   0.318286D+01 -0.240468D+00  0.284702D+01  0.309916D+01 -0.901611D+00
      3   0.555112D+01 -0.186417D+01  0.576241D+01  0.611822D+01 -0.878429D+00
               286           287           288           289           290 
      1  -0.849111D-01 -0.385605D+01  0.329715D+00  0.113447D+01  0.155520D+01
      2  -0.166283D+00  0.303832D+00  0.521674D+00  0.138242D+01  0.104673D+00
      3   0.114784D+01  0.163077D+01  0.425115D+00  0.870847D+00 -0.101667D+01
               291           292           293           294           295 
      1  -0.125322D+01  0.688661D+00 -0.906931D+00  0.346850D+01 -0.766134D+00
      2  -0.866710D+00 -0.906108D+00  0.126653D+01  0.820998D-01 -0.317488D+01
      3  -0.137243D+01 -0.203180D+00  0.114344D+01 -0.999034D+00 -0.253959D+01
               296           297           298           299           300 
      1  -0.927659D+00  0.140623D+02 -0.107209D+01 -0.368911D+01 -0.126134D+01
      2  -0.432109D+00  0.577042D+01  0.218149D+01 -0.123451D+01  0.637064D+00
      3   0.276264D+00  0.159265D+01 -0.179319D+01  0.373169D+01  0.141419D+01
               301           302           303           304           305 
      1  -0.495994D-01  0.839259D+01 -0.778409D+00 -0.141346D+01 -0.335860D+01
      2  -0.239469D+01  0.233118D+01  0.134253D+01  0.272671D+00  0.117852D+01
      3   0.396803D+01 -0.100856D+02 -0.155133D+01 -0.397942D+00  0.189931D+01
               306           307           308           309           310 
      1  -0.116829D+00  0.597061D+00  0.169245D+01  0.196996D+01  0.128890D+01
      2   0.611538D+00  0.156420D+01 -0.988786D+00 -0.171710D+01  0.286909D+00
      3  -0.411472D+00 -0.133971D+01 -0.926905D+00  0.884586D+00 -0.113977D+00
               311           312           313           314           315 
      1   0.166793D+00  0.262816D+01 -0.731091D+00 -0.406052D+00 -0.107859D+02
      2   0.972617D+00 -0.838414D+00 -0.270047D+01  0.190766D+01  0.107164D+02
      3  -0.634946D+00 -0.143056D+01  0.244925D+01 -0.710003D+00 -0.156690D+01
               316           317           318           319           320 
      1   0.736569D+00 -0.193373D+01  0.409810D+00 -0.410532D+01  0.774078D+01
      2   0.367045D-01 -0.122626D+01  0.196137D+01 -0.435696D+01  0.885568D+00
      3   0.105934D+01 -0.314478D+01  0.211089D+00 -0.290828D+01  0.107021D+02
               321           322           323           324           325 
      1   0.545720D+00  0.196045D+01 -0.971614D+00  0.268978D+00  0.213666D+01
      2  -0.427419D+00  0.266402D+01 -0.169441D+01 -0.558831D+00  0.390606D+00
      3   0.209532D+01  0.853734D+00 -0.176815D+01  0.394221D+00  0.161952D+01
               326           327           328           329           330 
      1   0.264466D+00 -0.138678D+01 -0.189984D+00  0.612030D-01  0.942354D+00
      2  -0.105192D+01 -0.342169D+01  0.196221D+00 -0.186578D+01  0.228909D+00
      3  -0.215867D+00 -0.178974D+00  0.578939D+00  0.405656D+00  0.168251D+01
               331           332           333 
      1   0.126033D+01  0.200879D+01 -0.203731D+01
      2  -0.258948D+00 -0.243954D+01 -0.150620D+02
      3   0.150875D+01  0.206100D+01  0.157315D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.655337D+01 -0.134381D+02  0.746250D+01 -0.930697D+01  0.258516D+02
      2   0.107824D+02  0.237891D+02 -0.821239D+01  0.175953D+02 -0.377431D+02
      3  -0.422898D+01 -0.103510D+02  0.749892D+00 -0.828836D+01  0.118915D+02
      4  -0.950183D+01  0.587439D+01  0.121144D+02  0.612646D+01  0.123402D+02
      5   0.785897D+01  0.310598D+00 -0.755743D+01 -0.273913D+01 -0.291411D+01
      6   0.135686D+02 -0.870903D+01 -0.530924D+01 -0.382609D+01  0.235468D+02
                 6             7             8             9            10 
      1  -0.122813D+02  0.591686D+01 -0.898055D+01 -0.128115D+01  0.111888D+02
      2   0.227489D+02 -0.599945D+01  0.174359D+02 -0.230607D+01 -0.158852D+02
      3  -0.104676D+02  0.825824D-01 -0.845533D+01  0.358721D+01  0.469640D+01
      4   0.589212D-02  0.104157D+02 -0.161146D+01 -0.383912D+01  0.141178D+01
      5  -0.818966D+00 -0.618522D+01 -0.299141D-01  0.592285D+00 -0.848725D+00
      6  -0.628038D+01 -0.353518D+01 -0.661413D+01 -0.407978D+01 -0.206965D+02
                11            12            13            14            15 
      1   0.107445D+02 -0.427629D+00  0.828528D+01 -0.722672D+00  0.797483D+01
      2  -0.240398D+02 -0.428179D+01 -0.195256D+02 -0.212684D+01 -0.173731D+02
      3   0.132953D+02  0.470942D+01  0.112404D+02  0.284951D+01  0.939825D+01
      4  -0.224899D+02 -0.177543D+02 -0.186395D+02 -0.196544D+02 -0.601569D+01
      5  -0.811015D+01 -0.518795D+01 -0.341524D+01 -0.880334D+01  0.407082D+00
      6  -0.787052D+01  0.489264D+01 -0.451838D+01 -0.155405D+02 -0.847804D+01
                16            17            18            19            20 
      1  -0.136468D+01  0.486667D+01  0.136739D+01 -0.159326D+02 -0.431396D+01
      2  -0.205980D+01 -0.126606D+02 -0.501674D+01  0.106134D+02  0.660155D+01
      3   0.342448D+01  0.779394D+01  0.364935D+01  0.531924D+01 -0.228759D+01
      4  -0.148763D+02 -0.546285D+01  0.223551D+01 -0.704517D+01  0.533373D+01
      5  -0.502732D+01 -0.774697D+00  0.205715D+01 -0.383426D+01  0.256426D+01
      6   0.273562D+01 -0.795850D+01  0.330218D+01  0.453424D+01  0.267814D+01
                21            22            23            24            25 
      1  -0.192871D+01 -0.862097D+01 -0.102400D+02 -0.993331D+01 -0.630923D+00
      2  -0.115933D+00  0.134082D+02  0.913251D+01  0.118372D+02  0.124646D+01
      3   0.204464D+01 -0.478722D+01  0.110747D+01 -0.190394D+01 -0.615532D+00
      4   0.214503D+01  0.770267D+01  0.939983D+01  0.514140D+01  0.622148D+00
      5   0.444556D+01  0.154927D+01  0.850629D+01  0.168412D+01  0.360478D+01
      6   0.220218D+01  0.412437D+01  0.809162D+01  0.702170D+01  0.291440D-01
                26            27            28            29            30 
      1  -0.530165D+01  0.345405D+01 -0.963092D+01  0.757317D-01 -0.566662D+01
      2   0.494306D+01  0.105043D+02  0.317855D+01 -0.611083D-01  0.566775D+01
      3   0.358591D+00 -0.139584D+02  0.645237D+01 -0.146234D-01 -0.113698D-02
      4   0.364050D+01 -0.346885D-01  0.280430D-01 -0.628126D+01  0.376277D+01
      5   0.571992D+00 -0.374398D+01 -0.364528D+01  0.241665D+01 -0.346910D+01
      6   0.565708D+01 -0.608941D+01  0.238855D+01  0.374872D+01 -0.349683D-01
                31            32            33            34            35 
      1   0.198892D-01  0.304197D+01  0.376967D+01 -0.777871D+01  0.530769D+01
      2  -0.103158D-01 -0.948997D+01 -0.379454D+01  0.778902D+01 -0.531159D+01
      3  -0.957343D-02  0.644800D+01  0.248740D-01 -0.103111D-01  0.389416D-02
      4  -0.639823D+01 -0.131934D-02  0.569753D+01  0.529878D+01  0.775422D+01
      5   0.239660D+01  0.372153D+01  0.186974D-01  0.332278D+01 -0.405506D-01
      6   0.368427D+01 -0.250805D+01 -0.342413D+01 -0.295508D-01  0.336440D+01
                36            37            38            39            40 
      1   0.850180D+00 -0.191104D+01  0.133772D+01  0.109825D+01  0.579853D+01
      2   0.893112D+00 -0.528554D+01 -0.109927D+01 -0.370623D+01 -0.806695D+01
      3  -0.174329D+01  0.719658D+01 -0.238440D+00  0.260798D+01  0.226843D+01
      4  -0.307545D-01  0.113894D+02 -0.478066D+01 -0.233973D+01 -0.700452D+01
      5  -0.424015D-01 -0.424895D+01  0.243778D+01  0.341829D+01  0.391404D+01
      6  -0.257371D-01 -0.105131D+01 -0.637813D+00 -0.637348D+00  0.388868D+00
                41            42            43            44            45 
      1  -0.190157D+02  0.107403D+02  0.176009D+01  0.610321D+01  0.459696D+01
      2   0.197302D+02 -0.116777D+02 -0.110170D+01 -0.606291D+01  0.932959D+01
      3  -0.714414D+00  0.937340D+00 -0.658390D+00 -0.403021D-01 -0.139265D+02
      4   0.312617D+01 -0.343705D+01 -0.307537D+00 -0.116150D+01  0.249696D+01
      5   0.368361D+01 -0.195229D+00  0.371800D+01  0.304138D+00 -0.111674D+01
      6  -0.121771D+02  0.794719D+01  0.793434D+00  0.544132D+01  0.711908D+01
                46            47            48            49            50 
      1   0.431163D+01  0.100504D+02  0.101886D+02  0.423233D+01  0.139494D+02
      2  -0.646815D+01 -0.487302D+01 -0.803604D+01 -0.142955D+01 -0.182647D+02
      3   0.215652D+01 -0.517738D+01 -0.215259D+01 -0.280278D+01  0.431537D+01
      4   0.914710D+01  0.118573D+02  0.737013D+01  0.822749D+01 -0.995637D+00
      5   0.610600D+01  0.397440D+01  0.641361D+01  0.248628D+01  0.579468D+01
      6   0.862970D+01  0.358455D+01  0.190420D+01  0.441546D+01 -0.245724D+01
                51            52            53            54            55 
      1   0.614748D+00  0.355436D+01  0.153697D+01  0.103600D+02  0.716639D+01
      2  -0.242668D+01 -0.402805D+01 -0.101156D+01  0.356623D+01 -0.668237D+01
      3   0.181193D+01  0.473682D+00 -0.525408D+00 -0.139262D+02 -0.484020D+00
      4   0.325451D+01  0.465786D+01  0.142758D+01  0.858228D+00 -0.126200D+02
      5   0.243404D+01  0.551638D+01  0.288241D+00 -0.560001D+01 -0.129326D+02
      6   0.494069D+01  0.825945D+00  0.370351D+01 -0.449186D+01 -0.894479D+01
                56            57            58            59            60 
      1  -0.112546D+02 -0.153478D+02 -0.150841D+02 -0.196371D+02 -0.166387D+01
      2   0.708102D+00  0.662145D+01  0.226042D+01  0.117487D+02 -0.422356D+01
      3   0.105465D+02  0.872634D+01  0.128236D+02  0.788843D+01  0.588744D+01
      4  -0.229475D+02 -0.666482D+01 -0.277569D+02 -0.869003D+01 -0.186578D+02
      5  -0.300350D+01 -0.900646D+01 -0.588242D+01 -0.216852D+02  0.435711D+01
      6  -0.468081D+01 -0.790811D-01 -0.974285D+01 -0.535060D+01 -0.455213D+01
                61            62            63            64            65 
      1  -0.112559D+02  0.381180D+00 -0.538456D+01 -0.437506D+02  0.811075D+01
      2   0.388603D+01 -0.477932D+01  0.182091D+01  0.297380D+02 -0.224450D+01
      3   0.736989D+01  0.439814D+01  0.356365D+01  0.140126D+02 -0.586625D+01
      4  -0.555766D+01 -0.152917D+02  0.144835D+01  0.908691D+00  0.103341D+02
      5  -0.810921D+01  0.240863D+01  0.303165D+01  0.251387D+02 -0.176210D+01
      6  -0.113402D+01 -0.481180D+01  0.248158D+01  0.868010D+00 -0.430804D+01
                66            67            68            69            70 
      1   0.233861D+02  0.141663D+02  0.169248D+02 -0.807614D+01  0.186098D+02
      2  -0.129268D+02 -0.621024D+01 -0.105480D+02  0.868598D+01 -0.101149D+02
      3  -0.104593D+02 -0.795603D+01 -0.637686D+01 -0.609839D+00 -0.849490D+01
      4   0.322524D+01  0.115532D+02 -0.421794D+01  0.101258D+02  0.805624D+00
      5  -0.557110D+01 -0.699228D+01  0.109733D+02 -0.504112D+01 -0.624149D+01
      6  -0.554771D+00 -0.200651D+01  0.885416D+01 -0.829483D+01 -0.410770D-01
                71            72            73            74            75 
      1  -0.613310D+01 -0.137487D+01  0.187937D+02 -0.245128D+01 -0.100007D+02
      2   0.715284D+01 -0.225239D+01 -0.178852D+02  0.124883D+01  0.940521D+01
      3  -0.101974D+01  0.362727D+01 -0.908523D+00  0.120245D+01  0.595454D+00
      4   0.871161D+01 -0.385308D+01  0.990770D+01 -0.867373D+01 -0.581535D+01
      5  -0.353225D+01 -0.407597D+01 -0.123494D+02 -0.173034D+01  0.802849D+01
      6  -0.664904D+01  0.851067D-01  0.115927D+01  0.462994D+01  0.414373D+00
                76            77            78            79            80 
      1   0.343755D+01 -0.855622D+01 -0.427375D+01 -0.562442D+01 -0.175220D+01
      2  -0.220712D+01  0.119900D+01  0.156385D+01  0.549685D+01  0.241036D+01
      3  -0.123044D+01  0.735722D+01  0.270990D+01  0.127577D+00 -0.658164D+00
      4  -0.514264D+01  0.876180D+01 -0.363425D+01 -0.259812D+01 -0.102704D+01
      5  -0.233240D+01 -0.804411D+00 -0.109260D+00  0.539832D+01  0.100353D+01
      6   0.308068D+01 -0.339553D+01  0.339169D+01  0.507000D+00  0.391093D+01
                81            82            83            84            85 
      1   0.869518D+01 -0.659985D+00  0.495863D+01  0.289804D+01  0.685852D+01
      2   0.526621D+01 -0.459070D+01 -0.984977D+01 -0.236364D+00 -0.924831D+01
      3  -0.139614D+02  0.525068D+01  0.489114D+01 -0.266168D+01  0.238979D+01
      4   0.299612D+01 -0.273386D+01  0.104266D+02 -0.947791D+01  0.452450D+01
      5   0.711747D+01  0.183926D+01 -0.493129D+00  0.468311D+01  0.120975D+01
      6  -0.204365D+00 -0.529466D+01  0.706685D+01 -0.181389D+01  0.722504D+01
                86            87            88            89            90 
      1   0.684450D+01  0.110598D+01 -0.781995D+00  0.218266D+00  0.877740D+01
      2  -0.798931D+01 -0.304761D+00  0.135156D+00 -0.613359D+00  0.519846D+01
      3   0.114481D+01 -0.801220D+00  0.646839D+00  0.395093D+00 -0.139759D+02
      4  -0.182856D+02  0.759832D+01 -0.486702D+01  0.402911D+01 -0.301193D+01
      5   0.674528D+01 -0.231521D+01  0.488949D+01 -0.745162D+00 -0.340819D+01
      6  -0.507606D+01  0.672833D+01 -0.130484D+01  0.438418D+01  0.631464D+01
                91            92            93            94            95 
      1   0.581846D+01 -0.127316D+02 -0.110351D+02 -0.133031D+02 -0.624799D+00
      2   0.163838D+01  0.169837D+02  0.535925D+01  0.197374D+02 -0.143399D+02
      3  -0.745683D+01 -0.425208D+01  0.567587D+01 -0.643428D+01  0.149647D+02
      4  -0.103166D+02 -0.912847D+01  0.671971D+01 -0.142869D+02  0.317334D+02
      5  -0.887893D+01 -0.280079D+01 -0.999452D+01 -0.211230D+01 -0.176293D+02
      6   0.727433D+01 -0.296355D+01  0.235556D+01 -0.883807D+01  0.192623D+02
                96            97            98            99           100 
      1  -0.755867D+01 -0.849457D+01 -0.762770D+01 -0.540241D+01 -0.273187D+02
      2   0.163726D+02  0.351212D+01  0.144081D+02  0.168187D+01  0.112724D+02
      3  -0.881393D+01  0.498245D+01 -0.678045D+01  0.372054D+01  0.160463D+02
      4  -0.161971D+02  0.497273D+01 -0.116698D+02  0.157490D+01  0.301675D+02
      5  -0.210762D+01 -0.797421D+01 -0.102815D+01  0.218328D+01  0.224802D+02
      6  -0.379964D+01  0.247923D+01 -0.477856D+01 -0.373805D+01 -0.139514D+02
               101           102           103           104           105 
      1   0.186735D+02  0.194544D+02  0.149224D+02  0.948061D+01  0.584541D+01
      2  -0.152260D+02 -0.100436D+02 -0.135958D+02 -0.122162D+01 -0.103992D+02
      3  -0.344757D+01 -0.941075D+01 -0.132662D+01 -0.825899D+01  0.455377D+01
      4  -0.436548D+01 -0.134385D+02  0.112607D+00 -0.112996D+02  0.695245D+01
      5  -0.653259D+01 -0.388849D+01 -0.842744D+00  0.714464D+01  0.319036D+01
      6  -0.402340D+01 -0.131220D+01 -0.389229D+01 -0.893960D+01 -0.985457D+01
               106           107           108           109           110 
      1   0.166709D+02  0.426746D+01  0.125550D+01 -0.235078D+00 -0.962197D+01
      2  -0.928237D+01 -0.835337D+01 -0.491313D+01 -0.920722D-01  0.789166D+01
      3  -0.738855D+01  0.408591D+01  0.365763D+01  0.327150D+00  0.173031D+01
      4  -0.919252D+01  0.525551D+01  0.238360D+01 -0.206151D+02  0.259236D-01
      5  -0.496570D+01  0.286396D+01 -0.401438D+01 -0.761342D+01  0.674970D+01
      6  -0.691599D+00 -0.777308D+01  0.168620D+01  0.558948D+01  0.272656D+01
               111           112           113           114           115 
      1  -0.244573D+01 -0.116851D+02 -0.677287D+01  0.197765D+01 -0.174579D+01
      2   0.294804D+01  0.755414D+01  0.624077D+00  0.785464D+00  0.147564D+01
      3  -0.502307D+00  0.413096D+01  0.614879D+01 -0.276311D+01  0.270150D+00
      4   0.833282D+01  0.574116D+01 -0.210059D+01 -0.849901D+01  0.429031D+01
      5   0.720142D+01  0.678181D+01 -0.362794D+01 -0.149656D+01  0.456686D+01
      6  -0.199751D+01  0.106468D+01  0.154738D+01  0.419652D+01 -0.764792D+00
               116           117           118           119           120 
      1   0.116205D+01  0.597719D+01  0.783406D+02 -0.137387D+01 -0.197993D+02
      2  -0.183542D+01  0.798644D+01 -0.449685D+02  0.180538D+01  0.135737D+02
      3   0.673369D+00 -0.139636D+02 -0.333721D+02 -0.431509D+00  0.622565D+01
      4  -0.397156D+01 -0.334397D+01  0.926506D+01  0.811432D+01 -0.209804D+01
      5  -0.134646D+01  0.676977D+01 -0.311171D+02  0.545659D+00  0.181856D+02
      6   0.461974D+01 -0.261381D+01 -0.327155D+01 -0.171650D+01  0.285719D+01
               121           122           123           124           125 
      1  -0.131019D+02  0.721604D+01  0.460323D+01 -0.163924D+02  0.105588D+01
      2   0.910835D+01 -0.393920D+01 -0.441863D+01  0.132187D+02 -0.172793D+01
      3   0.399352D+01 -0.327684D+01 -0.184598D+00  0.317375D+01  0.672046D+00
      4   0.930931D+01 -0.102920D+01 -0.438785D+01 -0.238079D+01 -0.346863D+01
      5   0.577009D+01 -0.565571D+01 -0.281173D+01  0.213898D+02  0.500382D-01
      6  -0.251119D+01 -0.768580D+00  0.267772D+01  0.300100D+01  0.264609D+01
               126           127           128           129           130 
      1   0.128062D+02  0.563562D+00  0.535832D+01 -0.714926D+01  0.469225D+01
      2  -0.105148D+02  0.458517D+00 -0.375232D+01  0.352551D+01 -0.156330D+01
      3  -0.229141D+01 -0.102208D+01 -0.160599D+01  0.362376D+01 -0.312895D+01
      4   0.192006D+01  0.213245D+01  0.192098D+00 -0.137413D+01  0.710914D+01
      5  -0.128941D+02 -0.466347D+01 -0.898732D+00  0.581138D+00 -0.342553D+01
      6  -0.149165D+01 -0.344880D+01  0.261341D+01 -0.189262D+01 -0.197503D+01
               131           132           133           134           135 
      1  -0.130644D+02  0.732334D+01 -0.632441D+01  0.530188D+01 -0.652877D+01
      2   0.178971D+02 -0.601730D+01  0.345132D+01 -0.328885D+01  0.200048D+01
      3  -0.483270D+01 -0.130604D+01  0.287309D+01 -0.201303D+01  0.452829D+01
      4   0.220914D+02 -0.100865D+02 -0.435639D+01 -0.857307D+01  0.786579D+01
      5  -0.100544D+02  0.117033D+02  0.478780D+01  0.836174D+01 -0.104171D+02
      6  -0.164810D+02  0.124084D+02  0.136664D+01  0.109240D+02 -0.107730D+02
               136           137           138           139           140 
      1   0.322912D+02  0.157638D+02  0.930688D+01  0.195679D+02  0.110663D+02
      2  -0.119582D+02 -0.303960D+01 -0.449212D+01 -0.225115D+01  0.510227D+01
      3  -0.203330D+02 -0.127242D+02 -0.481476D+01 -0.173168D+02 -0.161686D+02
      4   0.297935D+02  0.221277D+02  0.893064D+01  0.318794D+02  0.328966D+02
      5   0.173459D+02  0.889326D+01  0.123797D+02  0.126830D+02  0.142062D+02
      6   0.783615D+01  0.548188D+01  0.459581D+01  0.935684D+01  0.113351D+02
               141           142           143           144           145 
      1   0.340646D+01  0.826938D+01  0.212260D+01  0.601198D+01  0.142398D+02
      2   0.542457D+00 -0.525198D+01 -0.662914D+00 -0.374694D+01 -0.961778D+01
      3  -0.394891D+01 -0.301740D+01 -0.145969D+01 -0.226504D+01 -0.462206D+01
      4   0.138553D+02  0.962497D+01  0.102316D+02  0.108140D+02 -0.530056D+01
      5   0.102834D+02  0.159835D+02  0.101856D+02  0.113226D+02  0.118154D+02
      6   0.839419D+01  0.721400D+01  0.816117D+01  0.674530D+01 -0.941684D+00
               146           147           148           149           150 
      1  -0.619206D+01  0.813714D+01 -0.133125D+02  0.791285D+01 -0.304054D+01
      2   0.448989D+01 -0.600723D+01  0.100804D+02 -0.676435D+01  0.630506D+01
      3   0.170217D+01 -0.212991D+01  0.323209D+01 -0.114850D+01 -0.326452D+01
      4   0.741703D+01 -0.164827D+01  0.106536D+02 -0.158581D+02  0.101317D+02
      5  -0.383871D+01  0.969943D+01 -0.863740D+01  0.120442D+02 -0.137491D+02
      6   0.195380D+01 -0.177717D+00  0.408406D+01 -0.585050D+01  0.330112D+01
               151           152           153           154           155 
      1   0.940402D+01 -0.690157D+00  0.422618D+01  0.518683D+01 -0.499622D+01
      2  -0.827133D+01  0.404035D+01 -0.875922D+01  0.391897D+01 -0.481916D+01
      3  -0.113269D+01 -0.335019D+01  0.453303D+01 -0.910580D+01  0.981538D+01
      4  -0.101608D+01  0.726013D+01 -0.618475D+01 -0.164782D+02  0.186263D+02
      5   0.117988D+02 -0.774729D+01  0.148621D+02  0.734268D+01 -0.551896D+01
      6  -0.746087D+00  0.395854D+01 -0.220878D+01 -0.642415D+01  0.450378D+01
               156           157           158           159           160 
      1   0.351134D+01 -0.141688D+01 -0.135701D+02  0.592683D+01  0.163835D+01
      2  -0.591720D+00 -0.129985D+02  0.410043D+02 -0.114271D+02  0.535276D+00
      3  -0.291962D+01  0.144153D+02 -0.274341D+02  0.550032D+01 -0.217362D+01
      4  -0.618524D+01  0.266377D+02 -0.456984D+02  0.143245D+02 -0.746835D+01
      5   0.652149D+01 -0.758614D+01  0.144948D+02 -0.957964D+01  0.864851D+01
      6  -0.380775D+01  0.960821D+01 -0.234357D+02  0.143068D+02 -0.738365D+01
               161           162           163           164           165 
      1   0.526961D+01 -0.303608D+01  0.245955D+02  0.673206D+01  0.100029D+02
      2  -0.768016D+01  0.532335D+01 -0.186881D+02 -0.701684D+01 -0.938136D+01
      3   0.241055D+01 -0.228727D+01 -0.590742D+01  0.284780D+00 -0.621529D+00
      4   0.118642D+02 -0.110513D+02 -0.292370D+01  0.516599D+01 -0.198636D+01
      5  -0.103575D+02  0.773753D+01  0.164587D+02  0.306352D+01  0.138013D+02
      6   0.153787D+02 -0.104223D+02 -0.265870D+01  0.174659D+01 -0.420160D+01
               166           167           168           169           170 
      1   0.143453D+02  0.700009D+01  0.544477D+01  0.865944D+01  0.184580D+01
      2  -0.130750D+02 -0.709748D+01 -0.928245D+01 -0.901816D+01 -0.533034D+01
      3  -0.127036D+01  0.973933D-01  0.383768D+01  0.358725D+00  0.348454D+01
      4   0.292351D+01  0.422659D+01  0.499164D+01 -0.366254D+01  0.523826D+01
      5   0.835108D+01  0.815462D+01  0.956863D+01  0.135561D+02  0.369158D+01
      6   0.188500D+01 -0.108527D+00 -0.754648D+00 -0.329281D+01  0.210938D+01
               171           172           173           174           175 
      1   0.669447D+01  0.549907D+02 -0.135224D+02 -0.148442D+02 -0.374050D+01
      2  -0.111568D+02 -0.247255D+02  0.190181D+01  0.902227D+01 -0.345101D+01
      3   0.446229D+01 -0.302652D+02  0.116206D+02  0.582189D+01  0.719150D+01
      4  -0.263728D+00 -0.421509D+02  0.207621D+02  0.123113D+02  0.148373D+02
      5   0.143533D+02 -0.268276D+02  0.791674D+01  0.159017D+02  0.273994D+01
      6  -0.349492D+01  0.126484D+02 -0.543029D+01 -0.834120D+01 -0.412642D+01
               176           177           178           179           180 
      1   0.507230D+01 -0.792362D+00 -0.107638D+02  0.107301D+01  0.802761D+01
      2   0.136708D+01  0.298854D+01  0.811280D+01  0.736216D+00 -0.572815D+01
      3  -0.643938D+01 -0.219617D+01  0.265100D+01 -0.180922D+01 -0.229946D+01
      4  -0.112978D+02 -0.497004D+01  0.106138D+02 -0.596476D+01 -0.959570D+01
      5  -0.557678D+01 -0.263789D+01  0.175539D+02 -0.621900D+01 -0.113053D+02
      6   0.516480D+01  0.495221D+01 -0.916409D+01  0.646841D+01  0.628540D+01
               181           182           183           184           185 
      1  -0.524177D+01 -0.117898D+02 -0.907686D+01 -0.659061D+01 -0.198365D+02
      2   0.520518D+01  0.122119D+02  0.521199D+01  0.546370D+01  0.258331D+02
      3   0.365889D-01 -0.422090D+00  0.386486D+01  0.112691D+01 -0.599666D+01
      4   0.163865D+01  0.728183D+00  0.343912D+01  0.465095D+01 -0.802625D+01
      5  -0.151539D+01  0.121358D+01 -0.122625D+01  0.180657D+01 -0.448058D+01
      6   0.666077D+01  0.725243D+01  0.758879D+01  0.202037D+01  0.174079D+02
               186           187           188           189           190 
      1  -0.980243D+01 -0.549782D+01 -0.857752D+01 -0.107915D+02 -0.119055D+01
      2   0.996469D+01  0.206103D+01  0.782956D+01  0.631781D+01  0.135195D+02
      3  -0.162255D+00  0.343679D+01  0.747960D+00  0.447369D+01 -0.123290D+02
      4  -0.403003D+01  0.489988D+01 -0.531479D+01 -0.254403D+01  0.247414D+02
      5  -0.612256D+01  0.224233D+01 -0.477256D+01 -0.537814D+01  0.777014D+01
      6   0.141985D+02  0.220519D+01  0.134341D+02  0.138104D+02  0.125901D+02
               191           192           193           194           195 
      1  -0.770234D+01 -0.210628D+01 -0.609571D+01 -0.211339D+02 -0.692659D+01
      2   0.238980D+02  0.539102D+01  0.177984D+02  0.453439D+02  0.122340D+02
      3  -0.161956D+02 -0.328474D+01 -0.117027D+02 -0.242100D+02 -0.530744D+01
      4   0.281626D+02  0.120118D+02  0.192428D+02  0.293230D+02  0.849292D+01
      5   0.792796D+01  0.654371D+01  0.459545D+01  0.712942D+01  0.382725D+01
      6   0.130384D+02  0.951140D+01  0.880403D+01  0.212656D+02  0.142394D+02
               196           197           198           199           200 
      1  -0.225716D+01 -0.789818D+01 -0.638027D+01 -0.369880D+01  0.750908D+01
      2   0.333074D+01  0.111104D+02  0.863848D+01  0.553398D+01 -0.111109D+02
      3  -0.107358D+01 -0.321221D+01 -0.225821D+01 -0.183517D+01  0.360182D+01
      4   0.851471D+01  0.877528D+01  0.921987D+01 -0.198890D+02  0.117509D+02
      5   0.606821D+01  0.592164D+01  0.523590D+01 -0.827488D+01  0.440639D+01
      6   0.891995D+01  0.181131D+02  0.121478D+02  0.126749D+02 -0.793897D+01
               201           202           203           204           205 
      1   0.422124D+01  0.298932D+01 -0.661820D+01 -0.477478D+01  0.305137D+01
      2  -0.126987D+01 -0.508004D+01  0.106490D+02  0.723246D+01  0.118202D+00
      3  -0.295137D+01  0.209073D+01 -0.403081D+01 -0.245768D+01 -0.316957D+01
      4   0.113350D+02  0.694826D+01 -0.560035D+01 -0.198192D+01  0.791974D+01
      5   0.520391D+01  0.165560D+01 -0.163603D+01 -0.765482D+00  0.515976D+01
      6  -0.143669D+02 -0.344675D+01  0.999399D+01  0.780592D+01 -0.856442D+01
               206           207           208           209           210 
      1  -0.724450D+01 -0.696092D+01 -0.499043D+01  0.117353D+02 -0.490731D+01
      2   0.867815D+01  0.244992D+01  0.923003D+01 -0.196350D+02  0.590377D+01
      3  -0.143365D+01  0.451100D+01 -0.423959D+01  0.789965D+01 -0.996460D+00
      4  -0.223259D+01 -0.759950D+01 -0.515994D+01  0.120882D+02 -0.568737D+01
      5  -0.158612D+01 -0.411627D+01  0.642378D+00 -0.326661D+01  0.295238D+01
      6   0.105498D+02  0.143983D+02 -0.692336D+01  0.866411D+01 -0.483866D+01
               211           212           213           214           215 
      1   0.494245D+01 -0.438182D+02  0.130144D+02 -0.250679D+01  0.130782D+02
      2  -0.834427D+01  0.762503D+02 -0.191657D+02  0.224125D+01 -0.162974D+02
      3   0.340182D+01 -0.324321D+02  0.615126D+01  0.265535D+00  0.321919D+01
      4   0.846496D+01 -0.429700D+01  0.154327D+01 -0.388057D+01  0.101279D+01
      5  -0.178349D+01  0.143596D+00  0.863631D+00  0.256986D+01  0.538100D+00
      6   0.350502D+01 -0.300884D+02  0.179173D+02 -0.242730D+01  0.214353D+02
               216           217           218           219           220 
      1  -0.106044D+02  0.123534D+02 -0.162999D+01 -0.365905D+01 -0.202745D+01
      2   0.128949D+02 -0.819114D+01  0.516736D+01  0.543034D+01  0.404186D+01
      3  -0.229052D+01 -0.416231D+01 -0.353736D+01 -0.177129D+01 -0.201441D+01
      4  -0.116484D+01  0.242687D+02  0.898016D+01 -0.113670D+02  0.186645D+01
      5   0.205399D+00 -0.149717D+02 -0.310552D+01  0.109476D+02  0.113563D+01
      6  -0.129558D+02 -0.114538D+02 -0.446100D+01  0.130639D+02 -0.135571D+01
               221           222           223           224           225 
      1  -0.795678D+00  0.325880D+01 -0.148760D+01  0.424755D+01 -0.179060D+00
      2   0.249015D+01 -0.669063D+01  0.385129D+01 -0.683386D+01 -0.433167D+01
      3  -0.169447D+01  0.343184D+01 -0.236369D+01  0.258631D+01  0.451072D+01
      4   0.306820D+01 -0.140769D+01 -0.891739D+01 -0.415176D+01  0.869197D+01
      5  -0.284023D+01 -0.544966D+00  0.955830D+01  0.199504D+01 -0.931888D+01
      6  -0.572237D+01  0.203756D+01  0.898692D+01  0.615476D+01 -0.117190D+02
               226           227           228           229           230 
      1   0.118385D+02  0.172063D+01 -0.145835D+01 -0.206408D+01  0.225465D+01
      2  -0.378398D+01 -0.717211D+01  0.426355D+00 -0.152432D+01  0.254920D+01
      3  -0.805451D+01  0.545148D+01  0.103199D+01  0.358840D+01 -0.480385D+01
      4  -0.225714D+02  0.101307D+02 -0.396829D+01  0.856944D+01 -0.674232D+01
      5   0.104283D+02 -0.446888D+01  0.422739D+01 -0.229654D+01  0.114841D+01
      6  -0.361228D+01  0.632781D+01 -0.527126D+01  0.140726D+01  0.288556D+00
               231           232           233           234           235 
      1  -0.133362D+01 -0.903568D+00 -0.357323D+01  0.142191D+01 -0.712591D+00
      2   0.139575D+01 -0.170962D+01  0.607399D+01 -0.315088D+01 -0.212226D+01
      3  -0.621311D-01  0.261318D+01 -0.250076D+01  0.172897D+01  0.283485D+01
      4   0.123408D+01  0.194460D+01 -0.439670D+00 -0.302877D+01 -0.116268D+01
      5  -0.125937D+01  0.208811D+01 -0.580392D+00  0.173943D+01  0.155467D+01
      6   0.934466D+00 -0.252659D+01 -0.849662D+00 -0.307541D+00 -0.243485D+01
               236           237           238           239           240 
      1  -0.286119D+01  0.188913D+01 -0.167341D+01  0.122569D+01 -0.143801D+01
      2   0.287615D+01 -0.814836D+00  0.110603D+01 -0.411231D+01 -0.283463D+01
      3  -0.149589D-01 -0.107429D+01  0.567383D+00  0.288663D+01  0.427264D+01
      4   0.231487D+01 -0.299185D+01  0.271107D+00 -0.765248D-01  0.191590D-01
      5  -0.930681D+00  0.486427D+01 -0.247928D+00 -0.120368D+01  0.101364D+01
      6  -0.123840D+01  0.913460D+00 -0.889408D+00  0.639762D+00  0.117427D+01
               241           242           243           244           245 
      1  -0.973555D+00  0.591836D+01 -0.161750D+02  0.280606D+02 -0.195214D+01
      2  -0.294872D+01 -0.371414D+01 -0.181752D+02 -0.172746D+02  0.491399D+01
      3   0.392227D+01 -0.220422D+01  0.343501D+02 -0.107860D+02 -0.296185D+01
      4  -0.365431D+01  0.379967D+00 -0.309070D+01  0.153121D+02  0.596286D+01
      5   0.425992D+01 -0.909820D+00  0.545412D+01  0.127735D+02  0.163835D+01
      6  -0.326294D+01  0.731241D+01 -0.219213D+02  0.931069D+00  0.344617D+01
               246           247           248           249           250 
      1   0.217205D+01 -0.616808D+00  0.454241D+01  0.104912D+01 -0.147641D+01
      2  -0.315412D+01  0.174979D+01 -0.246621D+01 -0.709999D+00 -0.187929D+01
      3   0.982062D+00 -0.113298D+01 -0.207620D+01 -0.339117D+00  0.335570D+01
      4   0.316001D+01  0.153880D+01  0.143441D-01 -0.140023D+01 -0.293027D+01
      5   0.604449D+01 -0.223595D+01 -0.801963D+00 -0.853251D+00  0.277962D+01
      6   0.314416D+01 -0.262668D+00 -0.229104D+01 -0.887566D+00  0.103346D+01
               251           252           253           254           255 
      1   0.263613D+01  0.291087D+01  0.180651D+01  0.310361D+01  0.396670D+01
      2  -0.393881D+01 -0.462637D+01 -0.444509D+01 -0.321807D+01 -0.134004D+01
      3   0.130268D+01  0.171550D+01  0.263858D+01  0.114461D+00 -0.262666D+01
      4  -0.277291D+01  0.536150D+00 -0.416598D+00 -0.975998D+00  0.125780D+01
      5  -0.903323D+00  0.172526D+01  0.191209D+01 -0.974318D+00  0.363773D+01
      6  -0.150666D+01 -0.391633D+00  0.527587D+00 -0.176833D+01 -0.193469D+01
               256           257           258           259           260 
      1   0.922200D+00 -0.139904D+01  0.148907D+00 -0.396816D+00 -0.441424D+01
      2  -0.454105D+00 -0.167720D+01  0.337978D+01 -0.407880D+01  0.388907D+01
      3  -0.468095D+00  0.307624D+01 -0.352869D+01  0.447562D+01  0.525174D+00
      4  -0.138289D+01 -0.109220D+01  0.261165D-01  0.314540D+01  0.267053D+01
      5  -0.147507D+01 -0.899351D+00 -0.203902D+01  0.619041D+01  0.137146D+01
      6  -0.119201D+01  0.988242D+00  0.240191D+01  0.372685D+01  0.538047D+01
               261           262           263           264           265 
      1  -0.142751D+02  0.210620D+02  0.827179D+01 -0.202528D+01  0.128776D+02
      2  -0.200756D+02 -0.115311D+02 -0.553478D+01  0.259292D+01 -0.828724D+01
      3   0.343507D+02 -0.953088D+01 -0.273701D+01 -0.567643D+00 -0.459035D+01
      4   0.147321D+01  0.942364D+01  0.947312D+01 -0.214072D+01  0.621085D+01
      5   0.134471D+02 -0.673262D+01 -0.330661D+01  0.460041D+01 -0.863936D+01
      6   0.181354D+02 -0.352332D+01 -0.340903D+01  0.104534D+01 -0.285867D+01
               266           267           268           269           270 
      1   0.700105D+01 -0.275471D+01  0.506913D+01  0.733022D+00  0.621112D+00
      2  -0.370245D+01  0.362287D+01 -0.160375D+01  0.293701D+00 -0.236527D+01
      3  -0.329860D+01 -0.868163D+00 -0.346538D+01 -0.102672D+01  0.174415D+01
      4   0.119137D+02 -0.145913D+00 -0.310968D+01  0.249712D+01  0.350297D+01
      5  -0.201995D+01  0.505385D+01  0.125010D+01  0.302416D+01 -0.116422D+01
      6  -0.484964D+01  0.582432D+00  0.107757D+01  0.204905D-01 -0.135688D+01
               271           272           273           274           275 
      1  -0.204501D+01  0.565289D+00 -0.339489D+01  0.131209D+01 -0.141128D+01
      2  -0.574408D+00 -0.123804D+00 -0.845567D+00 -0.143179D+01 -0.167726D+01
      3   0.261942D+01 -0.441485D+00  0.424045D+01  0.119701D+00  0.308854D+01
      4   0.420176D+01 -0.377704D+00 -0.822042D+00  0.191414D+01 -0.692173D+00
      5   0.696683D+00 -0.141191D+01  0.126106D+01 -0.144386D+01 -0.243424D+01
      6  -0.390270D+00 -0.517767D+00  0.106638D+01 -0.128581D+01  0.993740D+00
               276           277           278           279           280 
      1  -0.881720D+00 -0.177237D+01  0.194519D+00 -0.150101D+02 -0.442656D+01
      2   0.206577D+01  0.563564D+01  0.209147D+01 -0.193506D+02  0.690552D+01
      3  -0.118405D+01 -0.386328D+01 -0.228599D+01  0.343607D+02 -0.247896D+01
      4  -0.261251D+01  0.210668D+01 -0.431007D+01  0.240741D+01  0.862543D+01
      5   0.114886D+01  0.835428D+01  0.892609D+00 -0.217033D+02 -0.390325D+01
      6   0.479143D+01 -0.145292D+01  0.321856D+01  0.624312D+01 -0.101692D+01
               281           282           283           284           285 
      1  -0.836365D+01  0.307210D+01 -0.660985D+01 -0.155046D+02  0.347150D+01
      2   0.120831D+02 -0.230428D+01  0.842575D+01  0.258942D+02 -0.279009D+01
      3  -0.371943D+01 -0.767822D+00 -0.181591D+01 -0.103896D+02 -0.681408D+00
      4   0.372369D+01  0.915079D+00  0.787729D+01  0.636974D+01 -0.136101D+01
      5  -0.185611D+01 -0.160752D+00 -0.312109D+01 -0.325249D+01  0.421451D+00
      6  -0.812824D+01  0.441437D+01 -0.292656D+01 -0.862204D+01  0.528726D+01
               286           287           288           289           290 
      1  -0.309977D+00 -0.762404D+00 -0.320852D+01 -0.125901D+01 -0.183447D+01
      2   0.873545D+00  0.434463D+01  0.148628D+01 -0.186433D+01  0.164558D+01
      3  -0.563568D+00 -0.358222D+01  0.172224D+01  0.312334D+01  0.188898D+00
      4   0.287802D+01 -0.350097D+01  0.299182D+01 -0.742616D+00  0.839599D+00
      5  -0.511083D+00  0.840592D+00 -0.119395D+01  0.143699D+01 -0.836967D+00
      6   0.278253D+01  0.173859D+01 -0.129317D+01 -0.184645D+01 -0.193325D+01
               291           292           293           294           295 
      1   0.277147D+01  0.429498D-01 -0.193549D+01 -0.300400D+00  0.251827D+01
      2  -0.101727D+01  0.338911D+00 -0.656782D+00 -0.371584D+01 -0.717210D+00
      3  -0.175420D+01 -0.381861D+00  0.259227D+01  0.401624D+01 -0.180106D+01
      4  -0.207035D+01 -0.110509D+01  0.429178D+01 -0.737368D+00 -0.428822D+01
      5   0.443831D+01 -0.836994D-01 -0.623379D+00  0.147015D+01  0.336616D+01
      6   0.158920D+01 -0.178838D+01  0.172593D+00  0.163018D+01  0.265517D+00
               296           297           298           299           300 
      1   0.535873D+01 -0.199192D+02 -0.325902D+01  0.354511D+01  0.189058D+00
      2  -0.120324D+01 -0.144190D+02  0.492903D+01 -0.361007D+01  0.265091D+00
      3  -0.415549D+01  0.343383D+02 -0.167001D+01  0.649593D-01 -0.454149D+00
      4   0.245072D+01  0.177903D+01 -0.186386D+01  0.392106D+00 -0.185301D+01
      5  -0.210747D+01  0.897252D+01 -0.257732D+01 -0.200223D+00 -0.105753D+01
      6   0.821823D+01 -0.207469D+02 -0.819846D+00 -0.404574D+01 -0.178033D+01
               301           302           303           304           305 
      1   0.556159D+01 -0.195731D+02 -0.390945D+01 -0.291356D+01 -0.152807D+01
      2  -0.376835D+01  0.307171D+02  0.298931D+01  0.205667D+01 -0.196417D+01
      3  -0.179324D+01 -0.111440D+02  0.920135D+00  0.856887D+00  0.349223D+01
      4   0.523278D+01  0.987513D+01  0.214361D+01 -0.312783D+01 -0.332697D+01
      5   0.297302D+01 -0.332518D+00  0.221407D+01 -0.144800D+01  0.476024D+00
      6   0.270016D+00  0.125772D+02  0.623478D+01 -0.146479D+01  0.270697D+01
               306           307           308           309           310 
      1  -0.463931D+01 -0.103427D+01  0.344396D+00  0.349538D+01 -0.243789D+01
      2   0.290177D+01 -0.206664D+01  0.573290D-01 -0.340837D+00  0.226806D+01
      3   0.173754D+01  0.310091D+01 -0.401725D+00 -0.315454D+01  0.169824D+00
      4  -0.460203D+00 -0.664559D+00 -0.143309D+01  0.367619D+00 -0.168887D+01
      5  -0.597865D+00  0.142314D+01 -0.833902D+00  0.294141D+01 -0.147520D+01
      6   0.167386D+01 -0.359622D+00 -0.191689D+01 -0.212226D+01 -0.150400D+01
               311           312           313           314           315 
      1  -0.455257D+01 -0.110836D+01  0.365719D+01 -0.435936D+01 -0.203507D+02
      2   0.195374D+01  0.420101D+01 -0.359927D+01 -0.120206D+00 -0.140086D+02
      3   0.259882D+01 -0.309265D+01 -0.579163D-01  0.447957D+01  0.343593D+02
      4  -0.163117D+01  0.590021D+00  0.328595D+01  0.301995D+01  0.665275D+00
      5  -0.495646D-01 -0.204344D+01  0.474152D+01  0.352801D+01  0.162493D+02
      6   0.154168D+01  0.309208D+01  0.118625D+01  0.681939D+01  0.156532D+02
               316           317           318           319           320 
      1   0.600804D+01 -0.323685D+01  0.835808D+00 -0.913018D+01  0.627727D+00
      2   0.239973D-01 -0.621179D+00 -0.635091D+00  0.341287D+01  0.620092D+01
      3  -0.603204D+01  0.385803D+01 -0.200717D+00  0.571732D+01 -0.682864D+01
      4  -0.896926D+01  0.103067D+02  0.201663D+01  0.105977D+02 -0.213146D+02
      5  -0.107102D+01  0.219850D+01  0.184009D+01  0.735497D+01 -0.374768D+01
      6   0.206934D+01 -0.312076D+01 -0.158541D+01 -0.461488D+01  0.898751D+01
               321           322           323           324           325 
      1   0.153446D+01  0.624082D+01 -0.140009D+01 -0.228797D+01 -0.435555D+01
      2  -0.254280D+01 -0.341663D+01 -0.874340D+00  0.554710D+00  0.154785D+01
      3   0.100834D+01 -0.282420D+01  0.227443D+01  0.173326D+01  0.280770D+01
      4  -0.333687D+01  0.575990D+00  0.190584D+01 -0.352235D+01 -0.123860D+01
      5  -0.557519D+01 -0.394255D+00 -0.284102D+01 -0.531378D+00  0.977719D+00
      6   0.330961D+01 -0.906645D+00  0.162209D+01  0.168415D+01 -0.886202D+00
               326           327           328           329           330 
      1   0.663921D+00 -0.279192D+01  0.184448D+01 -0.142190D+01 -0.358330D+00
      2  -0.122510D+01 -0.158819D+01 -0.182870D+01 -0.148547D+01  0.874718D+00
      3   0.561183D+00  0.438011D+01 -0.157785D-01  0.290737D+01 -0.516388D+00
      4   0.631048D+00  0.265028D+00  0.298981D+01 -0.832102D+00 -0.323390D+01
      5  -0.379767D+00  0.987723D+00 -0.635334D+00 -0.281766D+01  0.406022D+00
      6  -0.644776D+00  0.500422D+00 -0.136687D+01  0.100061D+01  0.505398D+01
               331           332           333 
      1  -0.336379D+01 -0.243372D+01 -0.173521D+02
      2   0.605619D+01 -0.117122D+01 -0.170053D+02
      3  -0.269241D+01  0.360493D+01  0.343574D+02
      4  -0.381238D+00 -0.387278D+01 -0.324180D+01
      5   0.780079D+01 -0.279692D+01 -0.224385D+02
      6  -0.444477D+00  0.377825D+01  0.255720D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.883090D-03      0.224459D-02      0.748715D-02
   x          0.191352D-03      0.486369D-03      0.162235D-02
   y          0.138826D-03      0.352861D-03      0.117702D-02
   z          0.850858D-03      0.216267D-02      0.721388D-02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.139420D+03      0.206599D+02      0.229872D+02
   aniso      0.253547D+02      0.375717D+01      0.418042D+01
   xx         0.147873D+03      0.219125D+02      0.243810D+02
   yx        -0.236901D-02     -0.351051D-03     -0.390597D-03
   yy         0.147870D+03      0.219120D+02      0.243804D+02
   zx        -0.100961D-03     -0.149609D-04     -0.166462D-04
   zy        -0.253378D-02     -0.375468D-03     -0.417764D-03
   zz         0.122517D+03      0.181551D+02      0.202003D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.141743D+03      0.210041D+02      0.233702D+02
   aniso      0.256665D+02      0.380338D+01      0.423183D+01
   xx         0.150308D+03      0.222733D+02      0.247824D+02
   yx        -0.151124D-02     -0.223943D-03     -0.249171D-03
   yy         0.150288D+03      0.222705D+02      0.247792D+02
   zx        -0.437308D-02     -0.648024D-03     -0.721024D-03
   zy        -0.316452D-02     -0.468933D-03     -0.521759D-03
   zz         0.124632D+03      0.184685D+02      0.205490D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -1.09586463         -5.50308848          0.32546661
     6         -0.79171345         -4.98889569         -2.46362738
     7         -1.47225398         -2.26963737         -2.95700418
    45          0.00013473          0.00009100          0.00017656
     7          0.42052229         -3.57325612          1.76689302
     7          1.82412374          1.95513621          2.98545080
     6          4.63501141          1.56408176          2.76805307
     6          5.35516074          1.70635312          0.01176668
     7          3.73937362         -0.13536852         -1.43689464
     7         -0.85445332          3.43191145         -1.88646038
     6         -3.64246209          3.95121761         -1.64562970
     6         -4.46100190          3.26979527          1.00041610
     7         -3.65718806          0.59124841          1.52988273
     1          7.35262507          1.27980299         -0.26190660
     1          5.01470516          3.58689163         -0.75884133
     1          5.64494176          2.97607793          3.87845868
     1          5.07911941         -0.28254537          3.56732240
     1         -4.04420657          5.92811316         -2.06661185
     1         -4.62154706          2.80932632         -3.05403169
     1         -6.49989077          3.46622884          1.22626436
     1         -3.56489235          4.48636463          2.40153000
     1         -1.97912045         -6.24237594         -3.58859664
     1          1.15615112         -5.27297299         -3.07305004
     1         -0.47629337         -7.40878345          0.80626716
     1         -3.06320060         -5.32744340          0.91293807
     1          2.25914378         -4.14875835          1.81670697
     1         -0.13680707         -3.60173339          3.61144617
     1         -3.38958046         -2.13120444         -3.09399889
     1         -0.83348953         -1.78074671         -4.70815721
     1         -4.96471876         -0.60433466          0.77155817
     1         -3.76900490          0.27654896          3.42780692
     1          0.11459015          4.92682632         -1.15136422
     1         -0.38472376          3.43288452         -3.75542533
     1          1.46192031          3.84757382          2.94426095
     1          1.25716700          1.40034455          4.74171999
     1          4.51698612         -1.89162280         -1.27849529
     1          3.86841282          0.27442683         -3.31549055

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.883090D-03      0.224459D-02      0.748715D-02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.883090D-03      0.224459D-02      0.748715D-02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.139420D+03      0.206599D+02      0.229872D+02
   aniso      0.253547D+02      0.375717D+01      0.418042D+01
   xx         0.146683D+03      0.217361D+02      0.241847D+02
   yx        -0.865415D+00     -0.128241D+00     -0.142688D+00
   yy         0.147244D+03      0.218193D+02      0.242773D+02
   zx         0.529349D+01      0.784414D+00      0.872778D+00
   zy         0.383730D+01      0.568629D+00      0.632685D+00
   zz         0.124333D+03      0.184242D+02      0.204997D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.141743D+03      0.210041D+02      0.233702D+02
   aniso      0.256665D+02      0.380338D+01      0.423183D+01
   xx         0.149104D+03      0.220950D+02      0.245840D+02
   yx        -0.874434D+00     -0.129578D+00     -0.144175D+00
   yy         0.149655D+03      0.221766D+02      0.246748D+02
   zx         0.535665D+01      0.793773D+00      0.883192D+00
   zy         0.388306D+01      0.575410D+00      0.640230D+00
   zz         0.126468D+03      0.187407D+02      0.208518D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-V11-17\Freq\RwB97XD\Gen\C6H24N6Rh1(3+)\PIERPA\24-Jul-2021
 \0\\#P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar
 =ROA Guess=Read Geom=Check CPHF=RdFreq Pseudo=Read\\ROA calculations.\
 \3,1\C,-0.478199,-2.83832,0.749399\C,-0.645629,-2.804461,-0.750307\N,-
 1.078681,-1.418399,-1.150041\Rh,0.000089,0.000061,0.000067\N,0.452614,
 -1.72396,1.149911\N,1.266579,1.253203,1.150361\C,2.69713,1.00498,0.749
 74\C,2.751749,0.843414,-0.749999\N,1.767955,-0.224596,-1.150132\N,-0.6
 89162,1.644142,-1.149359\C,-2.106386,1.961118,-0.750083\C,-2.219517,1.
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 A people that values its privileges above its principles soon loses both.
 -- Dwight D. Eisenhower
 Job cpu time:       0 days 14 hours  7 minutes  1.5 seconds.
 Elapsed time:       0 days  0 hours 53 minutes  4.9 seconds.
 File lengths (MBytes):  RWF=    642 Int=      0 D2E=      0 Chk=     22 Scr=      2
 Normal termination of Gaussian 16 at Sat Jul 24 18:00:39 2021.
